USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 799 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 506 THR OG1 : rot 125:sc= 0.0293 USER MOD Single : A 512 THR OG1 : rot 79:sc= 1.27 USER MOD Single : A 513 HIS : no HD1:sc= 0 X(o=0,f=-0.00083) USER MOD Single : A 515 SER OG : rot -170:sc= -1.15! USER MOD Single : A 517 SER OG : rot -19:sc= 1.27 USER MOD Single : A 521 MET CE :methyl -110:sc= -0.38 (180deg=-4.98!) USER MOD Single : A 524 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.0713) USER MOD Single : A 528 THR OG1 : rot -98:sc= 0.81 USER MOD Single : A 529 SER OG : rot 180:sc= 0 USER MOD Single : A 534 ASN :FLIP amide:sc= -0.983 F(o=-3.5!,f=-0.98) USER MOD Single : A 539 TYR OH : rot 180:sc= 0 USER MOD Single : A 540 LYS NZ :NH3+ 177:sc= 0.967 (180deg=0.906) USER MOD Single : A 541 THR OG1 : rot 110:sc= 0.494 USER MOD Single : A 545 THR OG1 : rot 180:sc= 0.993 USER MOD Single : A 556 THR OG1 : rot 180:sc= 0 USER MOD Single : A 557 CYS SG : rot 180:sc= 0 USER MOD Single : A 563 GLN :FLIP amide:sc=-0.00213 F(o=-0.89,f=-0.0021) USER MOD Single : A 564 ASN : amide:sc= -0.0218 X(o=-0.022,f=-0.098) USER MOD Single : A 569 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 570 THR OG1 : rot -174:sc= 1.24 USER MOD Single : A 572 SER OG : rot 40:sc= 0.0517 USER MOD Single : A 574 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 585 LYS NZ :NH3+ -179:sc= 1.15 (180deg=1.13) USER MOD Single : A 586 THR OG1 : rot -100:sc= -0.0203 USER MOD Single : A 639 HIS : no HD1:sc= -0.488 X(o=-0.49,f=-0.044) USER MOD Single : A 640 THR OG1 : rot 45:sc= -0.0606 USER MOD Single : A 641 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 502 2.561 -2.568 0.083 1.00 15.44 N ATOM 19 CA ALA A 502 2.288 -3.947 -0.298 1.00 50.42 C ATOM 20 C ALA A 502 0.792 -4.222 -0.447 1.00 15.34 C ATOM 21 O ALA A 502 0.361 -4.904 -1.371 1.00 24.11 O ATOM 22 CB ALA A 502 2.915 -4.905 0.697 1.00 71.22 C ATOM 0 HA ALA A 502 2.739 -4.109 -1.277 1.00 50.42 H new ATOM 0 HB1 ALA A 502 2.702 -5.931 0.398 1.00 71.22 H new ATOM 0 HB2 ALA A 502 3.994 -4.751 0.721 1.00 71.22 H new ATOM 0 HB3 ALA A 502 2.501 -4.722 1.689 1.00 71.22 H new ATOM 28 N GLY A 503 0.001 -3.737 0.466 1.00 30.44 N ATOM 29 CA GLY A 503 -1.410 -3.942 0.354 1.00 63.54 C ATOM 30 C GLY A 503 -1.998 -4.515 1.603 1.00 25.41 C ATOM 31 O GLY A 503 -1.633 -4.119 2.694 1.00 1.03 O ATOM 0 H GLY A 503 0.304 -3.206 1.282 1.00 30.44 H new ATOM 0 HA2 GLY A 503 -1.896 -2.993 0.127 1.00 63.54 H new ATOM 0 HA3 GLY A 503 -1.613 -4.612 -0.482 1.00 63.54 H new ATOM 35 N ILE A 504 -2.869 -5.477 1.445 1.00 64.24 N ATOM 36 CA ILE A 504 -3.589 -6.033 2.553 1.00 2.14 C ATOM 37 C ILE A 504 -3.362 -7.543 2.658 1.00 10.31 C ATOM 38 O ILE A 504 -3.740 -8.280 1.765 1.00 0.32 O ATOM 39 CB ILE A 504 -5.146 -5.780 2.414 1.00 14.12 C ATOM 40 CG1 ILE A 504 -5.527 -4.284 2.368 1.00 21.44 C ATOM 41 CG2 ILE A 504 -5.925 -6.474 3.504 1.00 4.03 C ATOM 42 CD1 ILE A 504 -5.340 -3.616 1.023 1.00 4.05 C ATOM 0 H ILE A 504 -3.097 -5.895 0.543 1.00 64.24 H new ATOM 0 HA ILE A 504 -3.213 -5.537 3.448 1.00 2.14 H new ATOM 0 HB ILE A 504 -5.418 -6.211 1.450 1.00 14.12 H new ATOM 0 HG12 ILE A 504 -6.571 -4.181 2.666 1.00 21.44 H new ATOM 0 HG13 ILE A 504 -4.931 -3.750 3.108 1.00 21.44 H new ATOM 0 HG21 ILE A 504 -6.989 -6.276 3.373 1.00 4.03 H new ATOM 0 HG22 ILE A 504 -5.747 -7.548 3.451 1.00 4.03 H new ATOM 0 HG23 ILE A 504 -5.603 -6.100 4.476 1.00 4.03 H new ATOM 0 HD11 ILE A 504 -5.634 -2.569 1.093 1.00 4.05 H new ATOM 0 HD12 ILE A 504 -4.293 -3.680 0.728 1.00 4.05 H new ATOM 0 HD13 ILE A 504 -5.958 -4.118 0.279 1.00 4.05 H new ATOM 54 N PHE A 505 -2.687 -7.973 3.699 1.00 42.31 N ATOM 55 CA PHE A 505 -2.644 -9.391 4.043 1.00 71.42 C ATOM 56 C PHE A 505 -3.634 -9.622 5.150 1.00 33.03 C ATOM 57 O PHE A 505 -3.532 -8.989 6.201 1.00 22.11 O ATOM 58 CB PHE A 505 -1.254 -9.873 4.523 1.00 25.21 C ATOM 59 CG PHE A 505 -0.309 -10.331 3.449 1.00 12.21 C ATOM 60 CD1 PHE A 505 -0.634 -11.411 2.648 1.00 43.41 C ATOM 61 CD2 PHE A 505 0.914 -9.718 3.268 1.00 3.31 C ATOM 62 CE1 PHE A 505 0.239 -11.866 1.685 1.00 3.41 C ATOM 63 CE2 PHE A 505 1.793 -10.168 2.300 1.00 3.11 C ATOM 64 CZ PHE A 505 1.452 -11.244 1.506 1.00 55.11 C ATOM 0 H PHE A 505 -2.158 -7.368 4.327 1.00 42.31 H new ATOM 0 HA PHE A 505 -2.878 -9.955 3.140 1.00 71.42 H new ATOM 0 HB2 PHE A 505 -0.780 -9.061 5.074 1.00 25.21 H new ATOM 0 HB3 PHE A 505 -1.399 -10.693 5.226 1.00 25.21 H new ATOM 0 HD1 PHE A 505 -1.586 -11.904 2.780 1.00 43.41 H new ATOM 0 HD2 PHE A 505 1.188 -8.878 3.889 1.00 3.31 H new ATOM 0 HE1 PHE A 505 -0.029 -12.712 1.070 1.00 3.41 H new ATOM 0 HE2 PHE A 505 2.746 -9.678 2.165 1.00 3.11 H new ATOM 0 HZ PHE A 505 2.135 -11.596 0.747 1.00 55.11 H new ATOM 74 N THR A 506 -4.599 -10.472 4.931 1.00 51.43 N ATOM 75 CA THR A 506 -5.574 -10.766 5.949 1.00 4.12 C ATOM 76 C THR A 506 -6.319 -12.041 5.590 1.00 41.05 C ATOM 77 O THR A 506 -6.067 -12.627 4.555 1.00 43.34 O ATOM 78 CB THR A 506 -6.569 -9.581 6.184 1.00 23.23 C ATOM 79 OG1 THR A 506 -7.335 -9.828 7.374 1.00 53.14 O ATOM 80 CG2 THR A 506 -7.522 -9.405 4.999 1.00 65.21 C ATOM 0 H THR A 506 -4.733 -10.976 4.054 1.00 51.43 H new ATOM 0 HA THR A 506 -5.042 -10.911 6.889 1.00 4.12 H new ATOM 0 HB THR A 506 -5.985 -8.667 6.292 1.00 23.23 H new ATOM 0 HG1 THR A 506 -7.238 -9.071 7.989 1.00 53.14 H new ATOM 0 HG21 THR A 506 -8.199 -8.574 5.197 1.00 65.21 H new ATOM 0 HG22 THR A 506 -6.946 -9.198 4.097 1.00 65.21 H new ATOM 0 HG23 THR A 506 -8.101 -10.318 4.859 1.00 65.21 H new ATOM 88 N PHE A 507 -7.216 -12.455 6.426 1.00 11.44 N ATOM 89 CA PHE A 507 -7.969 -13.653 6.197 1.00 21.45 C ATOM 90 C PHE A 507 -9.106 -13.370 5.257 1.00 41.01 C ATOM 91 O PHE A 507 -9.703 -12.286 5.316 1.00 22.23 O ATOM 92 CB PHE A 507 -8.501 -14.210 7.498 1.00 71.25 C ATOM 93 CG PHE A 507 -7.452 -14.765 8.392 1.00 65.04 C ATOM 94 CD1 PHE A 507 -7.069 -16.075 8.254 1.00 32.33 C ATOM 95 CD2 PHE A 507 -6.870 -13.993 9.380 1.00 22.41 C ATOM 96 CE1 PHE A 507 -6.122 -16.623 9.076 1.00 25.10 C ATOM 97 CE2 PHE A 507 -5.922 -14.526 10.218 1.00 71.24 C ATOM 98 CZ PHE A 507 -5.545 -15.846 10.070 1.00 11.23 C ATOM 0 H PHE A 507 -7.451 -11.971 7.293 1.00 11.44 H new ATOM 0 HA PHE A 507 -7.308 -14.396 5.750 1.00 21.45 H new ATOM 0 HB2 PHE A 507 -9.035 -13.421 8.028 1.00 71.25 H new ATOM 0 HB3 PHE A 507 -9.226 -14.993 7.277 1.00 71.25 H new ATOM 0 HD1 PHE A 507 -7.522 -16.683 7.485 1.00 32.33 H new ATOM 0 HD2 PHE A 507 -7.164 -12.960 9.494 1.00 22.41 H new ATOM 0 HE1 PHE A 507 -5.826 -17.654 8.952 1.00 25.10 H new ATOM 0 HE2 PHE A 507 -5.474 -13.916 10.989 1.00 71.24 H new ATOM 0 HZ PHE A 507 -4.802 -16.273 10.727 1.00 11.23 H new ATOM 108 N GLU A 508 -9.409 -14.333 4.393 1.00 11.44 N ATOM 109 CA GLU A 508 -10.475 -14.191 3.425 1.00 11.12 C ATOM 110 C GLU A 508 -11.808 -13.993 4.145 1.00 53.13 C ATOM 111 O GLU A 508 -12.635 -13.176 3.744 1.00 50.30 O ATOM 112 CB GLU A 508 -10.521 -15.419 2.522 1.00 74.43 C ATOM 113 CG GLU A 508 -11.458 -15.276 1.353 1.00 0.23 C ATOM 114 CD GLU A 508 -11.527 -16.517 0.505 1.00 63.13 C ATOM 115 OE1 GLU A 508 -12.264 -17.446 0.850 1.00 55.25 O ATOM 116 OE2 GLU A 508 -10.857 -16.584 -0.534 1.00 2.22 O ATOM 0 H GLU A 508 -8.921 -15.228 4.349 1.00 11.44 H new ATOM 0 HA GLU A 508 -10.287 -13.315 2.804 1.00 11.12 H new ATOM 0 HB2 GLU A 508 -9.517 -15.622 2.149 1.00 74.43 H new ATOM 0 HB3 GLU A 508 -10.822 -16.283 3.114 1.00 74.43 H new ATOM 0 HG2 GLU A 508 -12.456 -15.037 1.720 1.00 0.23 H new ATOM 0 HG3 GLU A 508 -11.136 -14.437 0.736 1.00 0.23 H new ATOM 123 N GLU A 509 -11.967 -14.688 5.240 1.00 3.50 N ATOM 124 CA GLU A 509 -13.147 -14.595 6.049 1.00 5.10 C ATOM 125 C GLU A 509 -12.722 -14.259 7.464 1.00 32.33 C ATOM 126 O GLU A 509 -11.639 -14.645 7.876 1.00 72.21 O ATOM 127 CB GLU A 509 -13.978 -15.901 5.963 1.00 72.41 C ATOM 128 CG GLU A 509 -13.212 -17.180 6.276 1.00 33.43 C ATOM 129 CD GLU A 509 -13.920 -18.428 5.769 1.00 33.33 C ATOM 130 OE1 GLU A 509 -13.672 -18.825 4.616 1.00 35.03 O ATOM 131 OE2 GLU A 509 -14.726 -19.035 6.505 1.00 2.33 O ATOM 0 H GLU A 509 -11.270 -15.342 5.597 1.00 3.50 H new ATOM 0 HA GLU A 509 -13.802 -13.803 5.686 1.00 5.10 H new ATOM 0 HB2 GLU A 509 -14.820 -15.823 6.651 1.00 72.41 H new ATOM 0 HB3 GLU A 509 -14.394 -15.982 4.959 1.00 72.41 H new ATOM 0 HG2 GLU A 509 -12.220 -17.123 5.828 1.00 33.43 H new ATOM 0 HG3 GLU A 509 -13.071 -17.260 7.354 1.00 33.43 H new ATOM 138 N PRO A 510 -13.505 -13.466 8.189 1.00 44.41 N ATOM 139 CA PRO A 510 -13.167 -13.079 9.560 1.00 1.05 C ATOM 140 C PRO A 510 -13.528 -14.164 10.578 1.00 11.33 C ATOM 141 O PRO A 510 -12.907 -14.287 11.634 1.00 32.41 O ATOM 142 CB PRO A 510 -14.014 -11.830 9.781 1.00 34.44 C ATOM 143 CG PRO A 510 -15.209 -12.013 8.898 1.00 21.22 C ATOM 144 CD PRO A 510 -14.758 -12.839 7.721 1.00 72.13 C ATOM 0 HA PRO A 510 -12.097 -12.918 9.692 1.00 1.05 H new ATOM 0 HB2 PRO A 510 -14.307 -11.731 10.826 1.00 34.44 H new ATOM 0 HB3 PRO A 510 -13.463 -10.927 9.518 1.00 34.44 H new ATOM 0 HG2 PRO A 510 -16.014 -12.514 9.436 1.00 21.22 H new ATOM 0 HG3 PRO A 510 -15.597 -11.049 8.568 1.00 21.22 H new ATOM 0 HD2 PRO A 510 -15.502 -13.587 7.449 1.00 72.13 H new ATOM 0 HD3 PRO A 510 -14.591 -12.221 6.839 1.00 72.13 H new ATOM 152 N VAL A 511 -14.519 -14.952 10.253 1.00 33.13 N ATOM 153 CA VAL A 511 -14.998 -15.994 11.124 1.00 10.40 C ATOM 154 C VAL A 511 -15.241 -17.200 10.268 1.00 62.43 C ATOM 155 O VAL A 511 -15.784 -17.071 9.167 1.00 62.34 O ATOM 156 CB VAL A 511 -16.342 -15.607 11.834 1.00 54.54 C ATOM 157 CG1 VAL A 511 -16.794 -16.697 12.799 1.00 54.13 C ATOM 158 CG2 VAL A 511 -16.245 -14.262 12.547 1.00 72.14 C ATOM 0 H VAL A 511 -15.022 -14.888 9.368 1.00 33.13 H new ATOM 0 HA VAL A 511 -14.258 -16.173 11.904 1.00 10.40 H new ATOM 0 HB VAL A 511 -17.095 -15.510 11.052 1.00 54.54 H new ATOM 0 HG11 VAL A 511 -17.728 -16.398 13.274 1.00 54.13 H new ATOM 0 HG12 VAL A 511 -16.947 -17.627 12.252 1.00 54.13 H new ATOM 0 HG13 VAL A 511 -16.030 -16.847 13.562 1.00 54.13 H new ATOM 0 HG21 VAL A 511 -17.198 -14.034 13.025 1.00 72.14 H new ATOM 0 HG22 VAL A 511 -15.461 -14.307 13.303 1.00 72.14 H new ATOM 0 HG23 VAL A 511 -16.006 -13.483 11.823 1.00 72.14 H new ATOM 168 N THR A 512 -14.820 -18.334 10.718 1.00 15.31 N ATOM 169 CA THR A 512 -15.042 -19.520 9.990 1.00 4.31 C ATOM 170 C THR A 512 -15.557 -20.600 10.943 1.00 42.15 C ATOM 171 O THR A 512 -15.101 -20.715 12.083 1.00 23.12 O ATOM 172 CB THR A 512 -13.744 -19.963 9.247 1.00 11.43 C ATOM 173 OG1 THR A 512 -14.048 -20.904 8.233 1.00 20.03 O ATOM 174 CG2 THR A 512 -12.694 -20.544 10.182 1.00 54.23 C ATOM 0 H THR A 512 -14.316 -18.456 11.596 1.00 15.31 H new ATOM 0 HA THR A 512 -15.797 -19.348 9.223 1.00 4.31 H new ATOM 0 HB THR A 512 -13.322 -19.061 8.803 1.00 11.43 H new ATOM 0 HG1 THR A 512 -14.408 -20.437 7.450 1.00 20.03 H new ATOM 0 HG21 THR A 512 -11.815 -20.834 9.607 1.00 54.23 H new ATOM 0 HG22 THR A 512 -12.412 -19.796 10.923 1.00 54.23 H new ATOM 0 HG23 THR A 512 -13.101 -21.420 10.687 1.00 54.23 H new ATOM 182 N HIS A 513 -16.545 -21.325 10.520 1.00 64.11 N ATOM 183 CA HIS A 513 -17.054 -22.411 11.314 1.00 35.22 C ATOM 184 C HIS A 513 -16.683 -23.716 10.661 1.00 64.32 C ATOM 185 O HIS A 513 -17.007 -23.962 9.499 1.00 32.53 O ATOM 186 CB HIS A 513 -18.577 -22.286 11.635 1.00 54.22 C ATOM 187 CG HIS A 513 -19.510 -22.131 10.456 1.00 74.43 C ATOM 188 ND1 HIS A 513 -20.061 -20.927 10.070 1.00 35.41 N ATOM 189 CD2 HIS A 513 -20.012 -23.058 9.601 1.00 0.01 C ATOM 190 CE1 HIS A 513 -20.856 -21.150 9.027 1.00 63.34 C ATOM 191 NE2 HIS A 513 -20.865 -22.430 8.698 1.00 71.30 N ATOM 0 H HIS A 513 -17.020 -21.188 9.628 1.00 64.11 H new ATOM 0 HA HIS A 513 -16.582 -22.371 12.296 1.00 35.22 H new ATOM 0 HB2 HIS A 513 -18.880 -23.171 12.195 1.00 54.22 H new ATOM 0 HB3 HIS A 513 -18.716 -21.429 12.294 1.00 54.22 H new ATOM 0 HD2 HIS A 513 -19.786 -24.114 9.619 1.00 0.01 H new ATOM 0 HE1 HIS A 513 -21.421 -20.385 8.516 1.00 63.34 H new ATOM 0 HE2 HIS A 513 -21.389 -22.867 7.940 1.00 71.30 H new ATOM 199 N VAL A 514 -15.955 -24.508 11.374 1.00 14.43 N ATOM 200 CA VAL A 514 -15.468 -25.749 10.870 1.00 64.24 C ATOM 201 C VAL A 514 -16.204 -26.897 11.524 1.00 24.33 C ATOM 202 O VAL A 514 -17.039 -26.697 12.418 1.00 23.13 O ATOM 203 CB VAL A 514 -13.922 -25.906 11.066 1.00 42.25 C ATOM 204 CG1 VAL A 514 -13.176 -24.763 10.382 1.00 71.34 C ATOM 205 CG2 VAL A 514 -13.544 -25.984 12.545 1.00 34.41 C ATOM 0 H VAL A 514 -15.678 -24.310 12.335 1.00 14.43 H new ATOM 0 HA VAL A 514 -15.655 -25.762 9.796 1.00 64.24 H new ATOM 0 HB VAL A 514 -13.626 -26.846 10.601 1.00 42.25 H new ATOM 0 HG11 VAL A 514 -12.103 -24.889 10.529 1.00 71.34 H new ATOM 0 HG12 VAL A 514 -13.399 -24.770 9.315 1.00 71.34 H new ATOM 0 HG13 VAL A 514 -13.492 -23.813 10.813 1.00 71.34 H new ATOM 0 HG21 VAL A 514 -12.464 -26.093 12.639 1.00 34.41 H new ATOM 0 HG22 VAL A 514 -13.863 -25.072 13.051 1.00 34.41 H new ATOM 0 HG23 VAL A 514 -14.036 -26.843 13.001 1.00 34.41 H new ATOM 215 N SER A 515 -15.925 -28.061 11.066 1.00 65.14 N ATOM 216 CA SER A 515 -16.533 -29.251 11.539 1.00 34.10 C ATOM 217 C SER A 515 -15.643 -29.929 12.583 1.00 25.53 C ATOM 218 O SER A 515 -14.477 -29.588 12.718 1.00 44.51 O ATOM 219 CB SER A 515 -16.668 -30.150 10.342 1.00 2.22 C ATOM 220 OG SER A 515 -16.213 -29.471 9.169 1.00 42.01 O ATOM 0 H SER A 515 -15.242 -28.218 10.325 1.00 65.14 H new ATOM 0 HA SER A 515 -17.495 -29.040 12.007 1.00 34.10 H new ATOM 0 HB2 SER A 515 -16.089 -31.061 10.493 1.00 2.22 H new ATOM 0 HB3 SER A 515 -17.708 -30.451 10.218 1.00 2.22 H new ATOM 0 HG SER A 515 -16.447 -29.996 8.375 1.00 42.01 H new ATOM 226 N GLU A 516 -16.210 -30.850 13.335 1.00 51.40 N ATOM 227 CA GLU A 516 -15.430 -31.682 14.238 1.00 20.34 C ATOM 228 C GLU A 516 -14.826 -32.836 13.427 1.00 1.14 C ATOM 229 O GLU A 516 -13.616 -32.986 13.354 1.00 61.32 O ATOM 230 CB GLU A 516 -16.326 -32.160 15.428 1.00 3.52 C ATOM 231 CG GLU A 516 -15.679 -33.089 16.488 1.00 2.12 C ATOM 232 CD GLU A 516 -15.579 -34.550 16.062 1.00 1.11 C ATOM 233 OE1 GLU A 516 -16.388 -34.995 15.234 1.00 14.45 O ATOM 234 OE2 GLU A 516 -14.716 -35.280 16.556 1.00 13.01 O ATOM 0 H GLU A 516 -17.211 -31.044 13.341 1.00 51.40 H new ATOM 0 HA GLU A 516 -14.608 -31.124 14.685 1.00 20.34 H new ATOM 0 HB2 GLU A 516 -16.702 -31.275 15.942 1.00 3.52 H new ATOM 0 HB3 GLU A 516 -17.190 -32.677 15.011 1.00 3.52 H new ATOM 0 HG2 GLU A 516 -14.679 -32.720 16.716 1.00 2.12 H new ATOM 0 HG3 GLU A 516 -16.259 -33.030 17.409 1.00 2.12 H new ATOM 241 N SER A 517 -15.682 -33.564 12.726 1.00 74.53 N ATOM 242 CA SER A 517 -15.291 -34.732 11.934 1.00 41.54 C ATOM 243 C SER A 517 -14.699 -34.330 10.549 1.00 3.03 C ATOM 244 O SER A 517 -14.832 -35.069 9.570 1.00 30.11 O ATOM 245 CB SER A 517 -16.546 -35.576 11.715 1.00 62.10 C ATOM 246 OG SER A 517 -17.249 -35.801 12.937 1.00 23.43 O ATOM 0 H SER A 517 -16.681 -33.362 12.687 1.00 74.53 H new ATOM 0 HA SER A 517 -14.517 -35.282 12.470 1.00 41.54 H new ATOM 0 HB2 SER A 517 -17.203 -35.075 11.004 1.00 62.10 H new ATOM 0 HB3 SER A 517 -16.269 -36.533 11.273 1.00 62.10 H new ATOM 0 HG SER A 517 -16.650 -35.636 13.694 1.00 23.43 H new ATOM 252 N ILE A 518 -14.037 -33.193 10.475 1.00 14.21 N ATOM 253 CA ILE A 518 -13.485 -32.728 9.208 1.00 3.22 C ATOM 254 C ILE A 518 -12.026 -33.153 9.056 1.00 72.51 C ATOM 255 O ILE A 518 -11.514 -33.291 7.940 1.00 63.10 O ATOM 256 CB ILE A 518 -13.606 -31.186 9.067 1.00 32.53 C ATOM 257 CG1 ILE A 518 -13.105 -30.701 7.708 1.00 43.11 C ATOM 258 CG2 ILE A 518 -12.899 -30.456 10.200 1.00 23.21 C ATOM 259 CD1 ILE A 518 -13.183 -29.210 7.538 1.00 53.41 C ATOM 0 H ILE A 518 -13.866 -32.574 11.268 1.00 14.21 H new ATOM 0 HA ILE A 518 -14.069 -33.191 8.413 1.00 3.22 H new ATOM 0 HB ILE A 518 -14.667 -30.947 9.133 1.00 32.53 H new ATOM 0 HG12 ILE A 518 -12.071 -31.020 7.576 1.00 43.11 H new ATOM 0 HG13 ILE A 518 -13.690 -31.179 6.922 1.00 43.11 H new ATOM 0 HG21 ILE A 518 -13.008 -29.380 10.063 1.00 23.21 H new ATOM 0 HG22 ILE A 518 -13.341 -30.747 11.153 1.00 23.21 H new ATOM 0 HG23 ILE A 518 -11.841 -30.717 10.197 1.00 23.21 H new ATOM 0 HD11 ILE A 518 -12.811 -28.936 6.551 1.00 53.41 H new ATOM 0 HD12 ILE A 518 -14.219 -28.886 7.638 1.00 53.41 H new ATOM 0 HD13 ILE A 518 -12.576 -28.724 8.302 1.00 53.41 H new ATOM 271 N GLY A 519 -11.369 -33.374 10.160 1.00 44.34 N ATOM 272 CA GLY A 519 -9.992 -33.706 10.119 1.00 5.45 C ATOM 273 C GLY A 519 -9.146 -32.482 10.077 1.00 71.34 C ATOM 274 O GLY A 519 -8.683 -31.997 11.110 1.00 0.42 O ATOM 0 H GLY A 519 -11.774 -33.328 11.095 1.00 44.34 H new ATOM 0 HA2 GLY A 519 -9.732 -34.301 10.994 1.00 5.45 H new ATOM 0 HA3 GLY A 519 -9.789 -34.322 9.243 1.00 5.45 H new ATOM 278 N ILE A 520 -9.023 -31.925 8.913 1.00 43.34 N ATOM 279 CA ILE A 520 -8.144 -30.817 8.688 1.00 61.54 C ATOM 280 C ILE A 520 -8.939 -29.730 8.019 1.00 24.33 C ATOM 281 O ILE A 520 -9.685 -29.996 7.069 1.00 4.13 O ATOM 282 CB ILE A 520 -6.953 -31.207 7.749 1.00 71.12 C ATOM 283 CG1 ILE A 520 -6.144 -32.418 8.274 1.00 63.51 C ATOM 284 CG2 ILE A 520 -6.030 -30.019 7.494 1.00 71.14 C ATOM 285 CD1 ILE A 520 -5.440 -32.193 9.598 1.00 63.12 C ATOM 0 H ILE A 520 -9.534 -32.228 8.084 1.00 43.34 H new ATOM 0 HA ILE A 520 -7.732 -30.494 9.644 1.00 61.54 H new ATOM 0 HB ILE A 520 -7.403 -31.508 6.803 1.00 71.12 H new ATOM 0 HG12 ILE A 520 -6.818 -33.268 8.378 1.00 63.51 H new ATOM 0 HG13 ILE A 520 -5.400 -32.691 7.526 1.00 63.51 H new ATOM 0 HG21 ILE A 520 -5.215 -30.326 6.839 1.00 71.14 H new ATOM 0 HG22 ILE A 520 -6.594 -29.215 7.020 1.00 71.14 H new ATOM 0 HG23 ILE A 520 -5.621 -29.666 8.441 1.00 71.14 H new ATOM 0 HD11 ILE A 520 -4.901 -33.097 9.882 1.00 63.12 H new ATOM 0 HD12 ILE A 520 -4.736 -31.367 9.500 1.00 63.12 H new ATOM 0 HD13 ILE A 520 -6.176 -31.953 10.365 1.00 63.12 H new ATOM 297 N MET A 521 -8.830 -28.547 8.520 1.00 54.30 N ATOM 298 CA MET A 521 -9.478 -27.414 7.914 1.00 40.22 C ATOM 299 C MET A 521 -8.423 -26.516 7.282 1.00 13.43 C ATOM 300 O MET A 521 -7.297 -26.446 7.784 1.00 60.43 O ATOM 301 CB MET A 521 -10.343 -26.668 8.952 1.00 3.13 C ATOM 302 CG MET A 521 -9.599 -25.943 10.084 1.00 54.33 C ATOM 303 SD MET A 521 -9.026 -24.307 9.592 1.00 1.32 S ATOM 304 CE MET A 521 -8.630 -23.583 11.171 1.00 4.40 C ATOM 0 H MET A 521 -8.293 -28.329 9.359 1.00 54.30 H new ATOM 0 HA MET A 521 -10.154 -27.746 7.126 1.00 40.22 H new ATOM 0 HB2 MET A 521 -10.952 -25.935 8.422 1.00 3.13 H new ATOM 0 HB3 MET A 521 -11.028 -27.386 9.402 1.00 3.13 H new ATOM 0 HG2 MET A 521 -10.258 -25.850 10.947 1.00 54.33 H new ATOM 0 HG3 MET A 521 -8.746 -26.545 10.398 1.00 54.33 H new ATOM 0 HE1 MET A 521 -9.353 -22.801 11.404 1.00 4.40 H new ATOM 0 HE2 MET A 521 -8.665 -24.352 11.943 1.00 4.40 H new ATOM 0 HE3 MET A 521 -7.629 -23.152 11.133 1.00 4.40 H new ATOM 314 N GLU A 522 -8.765 -25.903 6.167 1.00 22.44 N ATOM 315 CA GLU A 522 -7.881 -24.984 5.459 1.00 10.05 C ATOM 316 C GLU A 522 -8.527 -23.626 5.257 1.00 1.24 C ATOM 317 O GLU A 522 -9.564 -23.515 4.610 1.00 31.34 O ATOM 318 CB GLU A 522 -7.447 -25.552 4.110 1.00 64.54 C ATOM 319 CG GLU A 522 -6.246 -26.463 4.178 1.00 72.14 C ATOM 320 CD GLU A 522 -5.887 -27.053 2.843 1.00 50.35 C ATOM 321 OE1 GLU A 522 -5.158 -26.406 2.067 1.00 12.03 O ATOM 322 OE2 GLU A 522 -6.309 -28.176 2.545 1.00 72.42 O ATOM 0 H GLU A 522 -9.672 -26.026 5.718 1.00 22.44 H new ATOM 0 HA GLU A 522 -6.999 -24.858 6.086 1.00 10.05 H new ATOM 0 HB2 GLU A 522 -8.282 -26.102 3.675 1.00 64.54 H new ATOM 0 HB3 GLU A 522 -7.224 -24.725 3.436 1.00 64.54 H new ATOM 0 HG2 GLU A 522 -5.393 -25.905 4.565 1.00 72.14 H new ATOM 0 HG3 GLU A 522 -6.446 -27.269 4.884 1.00 72.14 H new ATOM 329 N VAL A 523 -7.907 -22.607 5.802 1.00 0.02 N ATOM 330 CA VAL A 523 -8.394 -21.230 5.696 1.00 4.24 C ATOM 331 C VAL A 523 -7.569 -20.450 4.674 1.00 41.14 C ATOM 332 O VAL A 523 -6.344 -20.451 4.752 1.00 62.52 O ATOM 333 CB VAL A 523 -8.288 -20.529 7.065 1.00 2.42 C ATOM 334 CG1 VAL A 523 -8.744 -19.078 6.992 1.00 73.33 C ATOM 335 CG2 VAL A 523 -9.104 -21.290 8.083 1.00 74.12 C ATOM 0 H VAL A 523 -7.044 -22.698 6.338 1.00 0.02 H new ATOM 0 HA VAL A 523 -9.435 -21.258 5.374 1.00 4.24 H new ATOM 0 HB VAL A 523 -7.241 -20.523 7.367 1.00 2.42 H new ATOM 0 HG11 VAL A 523 -8.654 -18.618 7.976 1.00 73.33 H new ATOM 0 HG12 VAL A 523 -8.121 -18.536 6.280 1.00 73.33 H new ATOM 0 HG13 VAL A 523 -9.784 -19.039 6.667 1.00 73.33 H new ATOM 0 HG21 VAL A 523 -9.030 -20.796 9.052 1.00 74.12 H new ATOM 0 HG22 VAL A 523 -10.147 -21.316 7.767 1.00 74.12 H new ATOM 0 HG23 VAL A 523 -8.725 -22.308 8.166 1.00 74.12 H new ATOM 345 N LYS A 524 -8.245 -19.796 3.732 1.00 62.31 N ATOM 346 CA LYS A 524 -7.585 -19.006 2.690 1.00 32.32 C ATOM 347 C LYS A 524 -7.182 -17.632 3.233 1.00 23.30 C ATOM 348 O LYS A 524 -7.954 -16.978 3.963 1.00 54.21 O ATOM 349 CB LYS A 524 -8.525 -18.791 1.494 1.00 44.11 C ATOM 350 CG LYS A 524 -8.993 -20.030 0.772 1.00 30.51 C ATOM 351 CD LYS A 524 -7.870 -20.690 0.016 1.00 12.33 C ATOM 352 CE LYS A 524 -8.328 -21.071 -1.368 1.00 65.21 C ATOM 353 NZ LYS A 524 -9.460 -22.014 -1.352 1.00 61.22 N ATOM 0 H LYS A 524 -9.263 -19.797 3.668 1.00 62.31 H new ATOM 0 HA LYS A 524 -6.700 -19.557 2.372 1.00 32.32 H new ATOM 0 HB2 LYS A 524 -9.403 -18.248 1.844 1.00 44.11 H new ATOM 0 HB3 LYS A 524 -8.019 -18.148 0.774 1.00 44.11 H new ATOM 0 HG2 LYS A 524 -9.411 -20.734 1.491 1.00 30.51 H new ATOM 0 HG3 LYS A 524 -9.793 -19.768 0.080 1.00 30.51 H new ATOM 0 HD2 LYS A 524 -7.018 -20.013 -0.048 1.00 12.33 H new ATOM 0 HD3 LYS A 524 -7.533 -21.577 0.552 1.00 12.33 H new ATOM 0 HE2 LYS A 524 -8.617 -20.171 -1.911 1.00 65.21 H new ATOM 0 HE3 LYS A 524 -7.496 -21.518 -1.912 1.00 65.21 H new ATOM 0 HZ1 LYS A 524 -9.562 -22.450 -2.291 1.00 61.22 H new ATOM 0 HZ2 LYS A 524 -9.285 -22.755 -0.643 1.00 61.22 H new ATOM 0 HZ3 LYS A 524 -10.334 -21.504 -1.111 1.00 61.22 H new ATOM 367 N VAL A 525 -5.996 -17.201 2.888 1.00 61.11 N ATOM 368 CA VAL A 525 -5.500 -15.900 3.294 1.00 2.34 C ATOM 369 C VAL A 525 -5.362 -14.992 2.066 1.00 22.41 C ATOM 370 O VAL A 525 -4.831 -15.406 1.032 1.00 60.50 O ATOM 371 CB VAL A 525 -4.135 -16.026 4.035 1.00 24.12 C ATOM 372 CG1 VAL A 525 -3.618 -14.675 4.505 1.00 73.55 C ATOM 373 CG2 VAL A 525 -4.269 -16.961 5.216 1.00 50.33 C ATOM 0 H VAL A 525 -5.343 -17.738 2.318 1.00 61.11 H new ATOM 0 HA VAL A 525 -6.215 -15.458 3.988 1.00 2.34 H new ATOM 0 HB VAL A 525 -3.414 -16.431 3.325 1.00 24.12 H new ATOM 0 HG11 VAL A 525 -2.665 -14.808 5.016 1.00 73.55 H new ATOM 0 HG12 VAL A 525 -3.480 -14.019 3.645 1.00 73.55 H new ATOM 0 HG13 VAL A 525 -4.338 -14.228 5.190 1.00 73.55 H new ATOM 0 HG21 VAL A 525 -3.309 -17.042 5.727 1.00 50.33 H new ATOM 0 HG22 VAL A 525 -5.016 -16.570 5.907 1.00 50.33 H new ATOM 0 HG23 VAL A 525 -4.578 -17.946 4.867 1.00 50.33 H new ATOM 383 N LEU A 526 -5.854 -13.786 2.180 1.00 51.14 N ATOM 384 CA LEU A 526 -5.815 -12.815 1.106 1.00 63.01 C ATOM 385 C LEU A 526 -4.423 -12.225 0.988 1.00 42.13 C ATOM 386 O LEU A 526 -3.846 -11.753 1.981 1.00 23.43 O ATOM 387 CB LEU A 526 -6.846 -11.701 1.346 1.00 23.41 C ATOM 388 CG LEU A 526 -8.323 -12.119 1.317 1.00 13.13 C ATOM 389 CD1 LEU A 526 -9.213 -10.955 1.713 1.00 65.45 C ATOM 390 CD2 LEU A 526 -8.710 -12.617 -0.068 1.00 61.42 C ATOM 0 H LEU A 526 -6.300 -13.441 3.030 1.00 51.14 H new ATOM 0 HA LEU A 526 -6.065 -13.320 0.173 1.00 63.01 H new ATOM 0 HB2 LEU A 526 -6.639 -11.247 2.315 1.00 23.41 H new ATOM 0 HB3 LEU A 526 -6.695 -10.928 0.593 1.00 23.41 H new ATOM 0 HG LEU A 526 -8.461 -12.929 2.034 1.00 13.13 H new ATOM 0 HD11 LEU A 526 -10.256 -11.269 1.687 1.00 65.45 H new ATOM 0 HD12 LEU A 526 -8.958 -10.628 2.721 1.00 65.45 H new ATOM 0 HD13 LEU A 526 -9.065 -10.130 1.016 1.00 65.45 H new ATOM 0 HD21 LEU A 526 -9.760 -12.909 -0.069 1.00 61.42 H new ATOM 0 HD22 LEU A 526 -8.553 -11.822 -0.797 1.00 61.42 H new ATOM 0 HD23 LEU A 526 -8.094 -13.477 -0.331 1.00 61.42 H new ATOM 402 N ARG A 527 -3.886 -12.289 -0.208 1.00 33.33 N ATOM 403 CA ARG A 527 -2.569 -11.785 -0.513 1.00 13.12 C ATOM 404 C ARG A 527 -2.644 -10.278 -0.732 1.00 32.23 C ATOM 405 O ARG A 527 -3.715 -9.746 -1.059 1.00 32.31 O ATOM 406 CB ARG A 527 -2.059 -12.470 -1.790 1.00 14.25 C ATOM 407 CG ARG A 527 -0.609 -12.166 -2.169 1.00 3.30 C ATOM 408 CD ARG A 527 -0.271 -12.736 -3.541 1.00 1.31 C ATOM 409 NE ARG A 527 -0.980 -12.026 -4.623 1.00 13.35 N ATOM 410 CZ ARG A 527 -2.065 -12.472 -5.287 1.00 62.04 C ATOM 411 NH1 ARG A 527 -2.629 -13.636 -4.964 1.00 62.01 N ATOM 412 NH2 ARG A 527 -2.580 -11.738 -6.267 1.00 15.22 N ATOM 0 H ARG A 527 -4.362 -12.701 -1.011 1.00 33.33 H new ATOM 0 HA ARG A 527 -1.888 -11.994 0.312 1.00 13.12 H new ATOM 0 HB2 ARG A 527 -2.166 -13.548 -1.670 1.00 14.25 H new ATOM 0 HB3 ARG A 527 -2.702 -12.176 -2.620 1.00 14.25 H new ATOM 0 HG2 ARG A 527 -0.448 -11.088 -2.170 1.00 3.30 H new ATOM 0 HG3 ARG A 527 0.062 -12.588 -1.421 1.00 3.30 H new ATOM 0 HD2 ARG A 527 0.804 -12.669 -3.707 1.00 1.31 H new ATOM 0 HD3 ARG A 527 -0.533 -13.794 -3.569 1.00 1.31 H new ATOM 0 HE ARG A 527 -0.615 -11.113 -4.894 1.00 13.35 H new ATOM 0 HH11 ARG A 527 -2.240 -14.199 -4.208 1.00 62.01 H new ATOM 0 HH12 ARG A 527 -3.450 -13.964 -5.473 1.00 62.01 H new ATOM 0 HH21 ARG A 527 -2.155 -10.844 -6.512 1.00 15.22 H new ATOM 0 HH22 ARG A 527 -3.401 -12.068 -6.774 1.00 15.22 H new ATOM 426 N THR A 528 -1.525 -9.607 -0.557 1.00 51.34 N ATOM 427 CA THR A 528 -1.413 -8.204 -0.769 1.00 63.14 C ATOM 428 C THR A 528 -1.746 -7.808 -2.200 1.00 24.35 C ATOM 429 O THR A 528 -1.480 -8.556 -3.149 1.00 20.00 O ATOM 430 CB THR A 528 -0.001 -7.762 -0.408 1.00 50.24 C ATOM 431 OG1 THR A 528 0.916 -8.826 -0.711 1.00 54.41 O ATOM 432 CG2 THR A 528 0.088 -7.393 1.055 1.00 32.43 C ATOM 0 H THR A 528 -0.655 -10.045 -0.256 1.00 51.34 H new ATOM 0 HA THR A 528 -2.139 -7.702 -0.130 1.00 63.14 H new ATOM 0 HB THR A 528 0.257 -6.879 -0.992 1.00 50.24 H new ATOM 0 HG1 THR A 528 1.108 -9.334 0.105 1.00 54.41 H new ATOM 0 HG21 THR A 528 1.105 -7.080 1.290 1.00 32.43 H new ATOM 0 HG22 THR A 528 -0.601 -6.575 1.267 1.00 32.43 H new ATOM 0 HG23 THR A 528 -0.176 -8.257 1.665 1.00 32.43 H new ATOM 440 N SER A 529 -2.340 -6.639 -2.334 1.00 31.12 N ATOM 441 CA SER A 529 -2.731 -6.093 -3.607 1.00 71.41 C ATOM 442 C SER A 529 -1.495 -5.920 -4.511 1.00 61.23 C ATOM 443 O SER A 529 -1.558 -6.138 -5.717 1.00 44.51 O ATOM 444 CB SER A 529 -3.452 -4.755 -3.363 1.00 12.30 C ATOM 445 OG SER A 529 -3.902 -4.154 -4.570 1.00 74.24 O ATOM 0 H SER A 529 -2.566 -6.035 -1.544 1.00 31.12 H new ATOM 0 HA SER A 529 -3.413 -6.771 -4.121 1.00 71.41 H new ATOM 0 HB2 SER A 529 -4.304 -4.919 -2.703 1.00 12.30 H new ATOM 0 HB3 SER A 529 -2.777 -4.070 -2.849 1.00 12.30 H new ATOM 0 HG SER A 529 -4.354 -3.309 -4.366 1.00 74.24 H new ATOM 451 N GLY A 530 -0.381 -5.581 -3.909 1.00 1.51 N ATOM 452 CA GLY A 530 0.843 -5.412 -4.635 1.00 34.43 C ATOM 453 C GLY A 530 1.948 -6.212 -4.004 1.00 13.11 C ATOM 454 O GLY A 530 2.742 -5.682 -3.227 1.00 20.45 O ATOM 0 H GLY A 530 -0.303 -5.416 -2.905 1.00 1.51 H new ATOM 0 HA2 GLY A 530 0.705 -5.726 -5.670 1.00 34.43 H new ATOM 0 HA3 GLY A 530 1.117 -4.357 -4.656 1.00 34.43 H new ATOM 458 N ALA A 531 1.988 -7.493 -4.303 1.00 24.25 N ATOM 459 CA ALA A 531 3.019 -8.352 -3.776 1.00 12.40 C ATOM 460 C ALA A 531 4.225 -8.249 -4.673 1.00 33.32 C ATOM 461 O ALA A 531 4.175 -8.607 -5.854 1.00 13.04 O ATOM 462 CB ALA A 531 2.534 -9.795 -3.694 1.00 61.34 C ATOM 0 H ALA A 531 1.315 -7.961 -4.910 1.00 24.25 H new ATOM 0 HA ALA A 531 3.278 -8.037 -2.765 1.00 12.40 H new ATOM 0 HB1 ALA A 531 3.329 -10.424 -3.294 1.00 61.34 H new ATOM 0 HB2 ALA A 531 1.664 -9.850 -3.040 1.00 61.34 H new ATOM 0 HB3 ALA A 531 2.262 -10.144 -4.690 1.00 61.34 H new ATOM 468 N ARG A 532 5.286 -7.712 -4.147 1.00 75.11 N ATOM 469 CA ARG A 532 6.471 -7.508 -4.919 1.00 74.54 C ATOM 470 C ARG A 532 7.630 -8.278 -4.332 1.00 63.12 C ATOM 471 O ARG A 532 8.255 -7.857 -3.352 1.00 0.21 O ATOM 472 CB ARG A 532 6.795 -6.011 -5.042 1.00 14.01 C ATOM 473 CG ARG A 532 5.687 -5.182 -5.694 1.00 20.31 C ATOM 474 CD ARG A 532 5.361 -5.692 -7.092 1.00 34.24 C ATOM 475 NE ARG A 532 4.334 -4.884 -7.753 1.00 22.42 N ATOM 476 CZ ARG A 532 3.469 -5.341 -8.674 1.00 2.05 C ATOM 477 NH1 ARG A 532 3.331 -6.656 -8.880 1.00 14.20 N ATOM 478 NH2 ARG A 532 2.702 -4.489 -9.341 1.00 24.42 N ATOM 0 H ARG A 532 5.352 -7.405 -3.176 1.00 75.11 H new ATOM 0 HA ARG A 532 6.294 -7.889 -5.925 1.00 74.54 H new ATOM 0 HB2 ARG A 532 6.996 -5.611 -4.048 1.00 14.01 H new ATOM 0 HB3 ARG A 532 7.710 -5.895 -5.623 1.00 14.01 H new ATOM 0 HG2 ARG A 532 4.791 -5.217 -5.074 1.00 20.31 H new ATOM 0 HG3 ARG A 532 5.996 -4.138 -5.749 1.00 20.31 H new ATOM 0 HD2 ARG A 532 6.267 -5.690 -7.698 1.00 34.24 H new ATOM 0 HD3 ARG A 532 5.022 -6.726 -7.029 1.00 34.24 H new ATOM 0 HE ARG A 532 4.270 -3.899 -7.495 1.00 22.42 H new ATOM 0 HH11 ARG A 532 3.884 -7.318 -8.336 1.00 14.20 H new ATOM 0 HH12 ARG A 532 2.672 -6.996 -9.581 1.00 14.20 H new ATOM 0 HH21 ARG A 532 2.769 -3.488 -9.154 1.00 24.42 H new ATOM 0 HH22 ARG A 532 2.045 -4.834 -10.041 1.00 24.42 H new ATOM 492 N GLY A 533 7.881 -9.424 -4.895 1.00 31.11 N ATOM 493 CA GLY A 533 8.968 -10.233 -4.449 1.00 2.34 C ATOM 494 C GLY A 533 8.514 -11.467 -3.719 1.00 44.32 C ATOM 495 O GLY A 533 7.634 -12.188 -4.191 1.00 55.25 O ATOM 0 H GLY A 533 7.343 -9.817 -5.667 1.00 31.11 H new ATOM 0 HA2 GLY A 533 9.573 -10.526 -5.307 1.00 2.34 H new ATOM 0 HA3 GLY A 533 9.609 -9.643 -3.793 1.00 2.34 H new ATOM 499 N ASN A 534 9.094 -11.691 -2.571 1.00 50.15 N ATOM 500 CA ASN A 534 8.816 -12.859 -1.755 1.00 43.34 C ATOM 501 C ASN A 534 8.601 -12.415 -0.317 1.00 34.10 C ATOM 502 O ASN A 534 9.418 -11.675 0.236 1.00 34.13 O ATOM 503 CB ASN A 534 9.989 -13.853 -1.860 1.00 4.40 C ATOM 504 CG ASN A 534 9.850 -15.106 -0.993 1.00 70.44 C ATOM 505 OD1 ASN A 534 8.646 -15.583 -0.783 1.00 2.41 O flip ATOM 506 ND2 ASN A 534 10.849 -15.660 -0.543 1.00 51.52 N flip ATOM 0 H ASN A 534 9.785 -11.062 -2.163 1.00 50.15 H new ATOM 0 HA ASN A 534 7.914 -13.361 -2.106 1.00 43.34 H new ATOM 0 HB2 ASN A 534 10.095 -14.159 -2.901 1.00 4.40 H new ATOM 0 HB3 ASN A 534 10.909 -13.338 -1.584 1.00 4.40 H new ATOM 0 HD21 ASN A 534 11.774 -15.268 -0.721 1.00 51.52 H new ATOM 0 HD22 ASN A 534 10.754 -16.512 0.009 1.00 51.52 H new ATOM 513 N VAL A 535 7.498 -12.828 0.265 1.00 65.20 N ATOM 514 CA VAL A 535 7.105 -12.421 1.597 1.00 40.42 C ATOM 515 C VAL A 535 6.692 -13.643 2.421 1.00 74.14 C ATOM 516 O VAL A 535 6.080 -14.575 1.897 1.00 13.41 O ATOM 517 CB VAL A 535 5.893 -11.439 1.521 1.00 3.21 C ATOM 518 CG1 VAL A 535 5.465 -10.959 2.894 1.00 10.03 C ATOM 519 CG2 VAL A 535 6.205 -10.263 0.615 1.00 62.15 C ATOM 0 H VAL A 535 6.838 -13.466 -0.180 1.00 65.20 H new ATOM 0 HA VAL A 535 7.954 -11.927 2.069 1.00 40.42 H new ATOM 0 HB VAL A 535 5.057 -11.993 1.094 1.00 3.21 H new ATOM 0 HG11 VAL A 535 4.619 -10.278 2.794 1.00 10.03 H new ATOM 0 HG12 VAL A 535 5.173 -11.814 3.504 1.00 10.03 H new ATOM 0 HG13 VAL A 535 6.295 -10.439 3.373 1.00 10.03 H new ATOM 0 HG21 VAL A 535 5.345 -9.594 0.579 1.00 62.15 H new ATOM 0 HG22 VAL A 535 7.069 -9.724 1.003 1.00 62.15 H new ATOM 0 HG23 VAL A 535 6.425 -10.626 -0.389 1.00 62.15 H new ATOM 529 N ILE A 536 7.043 -13.643 3.684 1.00 54.13 N ATOM 530 CA ILE A 536 6.626 -14.688 4.588 1.00 11.11 C ATOM 531 C ILE A 536 5.647 -14.117 5.591 1.00 2.33 C ATOM 532 O ILE A 536 5.906 -13.065 6.195 1.00 60.11 O ATOM 533 CB ILE A 536 7.814 -15.351 5.347 1.00 41.20 C ATOM 534 CG1 ILE A 536 8.754 -16.080 4.378 1.00 74.03 C ATOM 535 CG2 ILE A 536 7.306 -16.303 6.431 1.00 40.43 C ATOM 536 CD1 ILE A 536 8.077 -17.129 3.529 1.00 33.20 C ATOM 0 H ILE A 536 7.623 -12.922 4.113 1.00 54.13 H new ATOM 0 HA ILE A 536 6.160 -15.467 3.985 1.00 11.11 H new ATOM 0 HB ILE A 536 8.383 -14.557 5.831 1.00 41.20 H new ATOM 0 HG12 ILE A 536 9.223 -15.346 3.723 1.00 74.03 H new ATOM 0 HG13 ILE A 536 9.553 -16.552 4.950 1.00 74.03 H new ATOM 0 HG21 ILE A 536 8.154 -16.753 6.947 1.00 40.43 H new ATOM 0 HG22 ILE A 536 6.699 -15.749 7.147 1.00 40.43 H new ATOM 0 HG23 ILE A 536 6.702 -17.087 5.973 1.00 40.43 H new ATOM 0 HD11 ILE A 536 8.812 -17.596 2.873 1.00 33.20 H new ATOM 0 HD12 ILE A 536 7.632 -17.887 4.173 1.00 33.20 H new ATOM 0 HD13 ILE A 536 7.297 -16.662 2.927 1.00 33.20 H new ATOM 548 N VAL A 537 4.535 -14.778 5.749 1.00 0.52 N ATOM 549 CA VAL A 537 3.533 -14.360 6.688 1.00 51.10 C ATOM 550 C VAL A 537 3.398 -15.419 7.785 1.00 22.32 C ATOM 551 O VAL A 537 2.891 -16.517 7.535 1.00 62.32 O ATOM 552 CB VAL A 537 2.161 -14.147 6.003 1.00 73.14 C ATOM 553 CG1 VAL A 537 1.160 -13.509 6.960 1.00 44.11 C ATOM 554 CG2 VAL A 537 2.315 -13.319 4.741 1.00 34.35 C ATOM 0 H VAL A 537 4.298 -15.623 5.230 1.00 0.52 H new ATOM 0 HA VAL A 537 3.844 -13.407 7.116 1.00 51.10 H new ATOM 0 HB VAL A 537 1.769 -15.124 5.721 1.00 73.14 H new ATOM 0 HG11 VAL A 537 0.206 -13.372 6.451 1.00 44.11 H new ATOM 0 HG12 VAL A 537 1.020 -14.157 7.825 1.00 44.11 H new ATOM 0 HG13 VAL A 537 1.538 -12.541 7.290 1.00 44.11 H new ATOM 0 HG21 VAL A 537 1.339 -13.181 4.275 1.00 34.35 H new ATOM 0 HG22 VAL A 537 2.737 -12.346 4.993 1.00 34.35 H new ATOM 0 HG23 VAL A 537 2.979 -13.834 4.047 1.00 34.35 H new ATOM 564 N PRO A 538 3.907 -15.140 8.984 1.00 24.14 N ATOM 565 CA PRO A 538 3.819 -16.069 10.103 1.00 23.44 C ATOM 566 C PRO A 538 2.418 -16.100 10.724 1.00 25.03 C ATOM 567 O PRO A 538 1.672 -15.122 10.657 1.00 43.00 O ATOM 568 CB PRO A 538 4.841 -15.529 11.098 1.00 32.42 C ATOM 569 CG PRO A 538 4.945 -14.070 10.804 1.00 22.03 C ATOM 570 CD PRO A 538 4.618 -13.896 9.345 1.00 40.41 C ATOM 0 HA PRO A 538 4.013 -17.097 9.797 1.00 23.44 H new ATOM 0 HB2 PRO A 538 4.519 -15.701 12.125 1.00 32.42 H new ATOM 0 HB3 PRO A 538 5.805 -16.024 10.979 1.00 32.42 H new ATOM 0 HG2 PRO A 538 4.254 -13.500 11.426 1.00 22.03 H new ATOM 0 HG3 PRO A 538 5.948 -13.702 11.022 1.00 22.03 H new ATOM 0 HD2 PRO A 538 3.994 -13.018 9.178 1.00 40.41 H new ATOM 0 HD3 PRO A 538 5.520 -13.765 8.747 1.00 40.41 H new ATOM 578 N TYR A 539 2.062 -17.216 11.308 1.00 61.42 N ATOM 579 CA TYR A 539 0.755 -17.370 11.930 1.00 22.23 C ATOM 580 C TYR A 539 0.829 -18.280 13.124 1.00 25.31 C ATOM 581 O TYR A 539 1.809 -19.016 13.291 1.00 72.44 O ATOM 582 CB TYR A 539 -0.290 -17.902 10.935 1.00 44.32 C ATOM 583 CG TYR A 539 -0.011 -19.282 10.381 1.00 64.02 C ATOM 584 CD1 TYR A 539 -0.411 -20.432 11.059 1.00 35.14 C ATOM 585 CD2 TYR A 539 0.647 -19.430 9.181 1.00 30.23 C ATOM 586 CE1 TYR A 539 -0.154 -21.680 10.548 1.00 14.21 C ATOM 587 CE2 TYR A 539 0.907 -20.674 8.666 1.00 61.25 C ATOM 588 CZ TYR A 539 0.508 -21.792 9.347 1.00 63.41 C ATOM 589 OH TYR A 539 0.791 -23.026 8.832 1.00 22.35 O ATOM 0 H TYR A 539 2.658 -18.041 11.370 1.00 61.42 H new ATOM 0 HA TYR A 539 0.441 -16.379 12.258 1.00 22.23 H new ATOM 0 HB2 TYR A 539 -1.262 -17.916 11.427 1.00 44.32 H new ATOM 0 HB3 TYR A 539 -0.364 -17.202 10.102 1.00 44.32 H new ATOM 0 HD1 TYR A 539 -0.931 -20.340 12.001 1.00 35.14 H new ATOM 0 HD2 TYR A 539 0.963 -18.553 8.637 1.00 30.23 H new ATOM 0 HE1 TYR A 539 -0.468 -22.564 11.083 1.00 14.21 H new ATOM 0 HE2 TYR A 539 1.426 -20.771 7.724 1.00 61.25 H new ATOM 0 HH TYR A 539 1.261 -22.924 7.978 1.00 22.35 H new ATOM 599 N LYS A 540 -0.202 -18.249 13.930 1.00 24.20 N ATOM 600 CA LYS A 540 -0.294 -19.083 15.113 1.00 34.24 C ATOM 601 C LYS A 540 -1.748 -19.272 15.500 1.00 72.22 C ATOM 602 O LYS A 540 -2.620 -18.468 15.107 1.00 25.40 O ATOM 603 CB LYS A 540 0.436 -18.440 16.297 1.00 51.45 C ATOM 604 CG LYS A 540 -0.171 -17.119 16.699 1.00 51.33 C ATOM 605 CD LYS A 540 0.388 -16.596 17.987 1.00 0.40 C ATOM 606 CE LYS A 540 -0.311 -15.311 18.354 1.00 2.14 C ATOM 607 NZ LYS A 540 0.031 -14.209 17.432 1.00 44.31 N ATOM 0 H LYS A 540 -1.009 -17.642 13.787 1.00 24.20 H new ATOM 0 HA LYS A 540 0.168 -20.042 14.879 1.00 34.24 H new ATOM 0 HB2 LYS A 540 0.413 -19.121 17.148 1.00 51.45 H new ATOM 0 HB3 LYS A 540 1.484 -18.291 16.037 1.00 51.45 H new ATOM 0 HG2 LYS A 540 0.002 -16.388 15.909 1.00 51.33 H new ATOM 0 HG3 LYS A 540 -1.251 -17.234 16.796 1.00 51.33 H new ATOM 0 HD2 LYS A 540 0.256 -17.333 18.779 1.00 0.40 H new ATOM 0 HD3 LYS A 540 1.460 -16.424 17.887 1.00 0.40 H new ATOM 0 HE2 LYS A 540 -1.389 -15.470 18.344 1.00 2.14 H new ATOM 0 HE3 LYS A 540 -0.040 -15.029 19.371 1.00 2.14 H new ATOM 0 HZ1 LYS A 540 -0.510 -13.359 17.691 1.00 44.31 H new ATOM 0 HZ2 LYS A 540 1.049 -14.005 17.498 1.00 44.31 H new ATOM 0 HZ3 LYS A 540 -0.204 -14.486 16.458 1.00 44.31 H new ATOM 621 N THR A 541 -2.004 -20.313 16.233 1.00 34.11 N ATOM 622 CA THR A 541 -3.291 -20.569 16.787 1.00 71.25 C ATOM 623 C THR A 541 -3.426 -19.878 18.142 1.00 42.14 C ATOM 624 O THR A 541 -2.458 -19.777 18.904 1.00 62.03 O ATOM 625 CB THR A 541 -3.522 -22.083 16.930 1.00 65.43 C ATOM 626 OG1 THR A 541 -2.321 -22.725 17.409 1.00 34.11 O ATOM 627 CG2 THR A 541 -3.929 -22.699 15.616 1.00 13.44 C ATOM 0 H THR A 541 -1.307 -21.020 16.465 1.00 34.11 H new ATOM 0 HA THR A 541 -4.048 -20.168 16.113 1.00 71.25 H new ATOM 0 HB THR A 541 -4.329 -22.231 17.647 1.00 65.43 H new ATOM 0 HG1 THR A 541 -2.459 -23.031 18.330 1.00 34.11 H new ATOM 0 HG21 THR A 541 -4.085 -23.770 15.749 1.00 13.44 H new ATOM 0 HG22 THR A 541 -4.854 -22.238 15.269 1.00 13.44 H new ATOM 0 HG23 THR A 541 -3.143 -22.536 14.879 1.00 13.44 H new ATOM 635 N ILE A 542 -4.584 -19.360 18.398 1.00 73.22 N ATOM 636 CA ILE A 542 -4.904 -18.699 19.634 1.00 12.21 C ATOM 637 C ILE A 542 -5.995 -19.492 20.304 1.00 3.22 C ATOM 638 O ILE A 542 -6.978 -19.849 19.658 1.00 70.01 O ATOM 639 CB ILE A 542 -5.449 -17.284 19.360 1.00 41.14 C ATOM 640 CG1 ILE A 542 -4.426 -16.418 18.636 1.00 1.31 C ATOM 641 CG2 ILE A 542 -5.915 -16.604 20.647 1.00 2.13 C ATOM 642 CD1 ILE A 542 -4.988 -15.089 18.208 1.00 2.44 C ATOM 0 H ILE A 542 -5.360 -19.383 17.737 1.00 73.22 H new ATOM 0 HA ILE A 542 -4.010 -18.628 20.253 1.00 12.21 H new ATOM 0 HB ILE A 542 -6.314 -17.398 18.706 1.00 41.14 H new ATOM 0 HG12 ILE A 542 -3.569 -16.252 19.289 1.00 1.31 H new ATOM 0 HG13 ILE A 542 -4.060 -16.952 17.759 1.00 1.31 H new ATOM 0 HG21 ILE A 542 -6.293 -15.608 20.416 1.00 2.13 H new ATOM 0 HG22 ILE A 542 -6.708 -17.196 21.105 1.00 2.13 H new ATOM 0 HG23 ILE A 542 -5.077 -16.522 21.339 1.00 2.13 H new ATOM 0 HD11 ILE A 542 -4.215 -14.514 17.698 1.00 2.44 H new ATOM 0 HD12 ILE A 542 -5.827 -15.250 17.531 1.00 2.44 H new ATOM 0 HD13 ILE A 542 -5.329 -14.539 19.085 1.00 2.44 H new ATOM 654 N GLU A 543 -5.833 -19.759 21.558 1.00 13.42 N ATOM 655 CA GLU A 543 -6.803 -20.500 22.306 1.00 61.30 C ATOM 656 C GLU A 543 -7.938 -19.579 22.734 1.00 54.23 C ATOM 657 O GLU A 543 -7.733 -18.380 22.958 1.00 43.32 O ATOM 658 CB GLU A 543 -6.136 -21.124 23.516 1.00 41.43 C ATOM 659 CG GLU A 543 -5.005 -22.065 23.160 1.00 1.15 C ATOM 660 CD GLU A 543 -4.275 -22.553 24.363 1.00 31.21 C ATOM 661 OE1 GLU A 543 -4.759 -23.512 25.017 1.00 62.02 O ATOM 662 OE2 GLU A 543 -3.202 -21.994 24.685 1.00 42.25 O ATOM 0 H GLU A 543 -5.019 -19.468 22.099 1.00 13.42 H new ATOM 0 HA GLU A 543 -7.219 -21.293 21.685 1.00 61.30 H new ATOM 0 HB2 GLU A 543 -5.751 -20.332 24.158 1.00 41.43 H new ATOM 0 HB3 GLU A 543 -6.883 -21.668 24.094 1.00 41.43 H new ATOM 0 HG2 GLU A 543 -5.404 -22.917 22.610 1.00 1.15 H new ATOM 0 HG3 GLU A 543 -4.307 -21.555 22.496 1.00 1.15 H new ATOM 669 N GLY A 544 -9.107 -20.122 22.825 1.00 71.43 N ATOM 670 CA GLY A 544 -10.252 -19.366 23.230 1.00 41.14 C ATOM 671 C GLY A 544 -11.105 -20.221 24.093 1.00 41.21 C ATOM 672 O GLY A 544 -10.658 -20.679 25.145 1.00 72.03 O ATOM 0 H GLY A 544 -9.298 -21.103 22.621 1.00 71.43 H new ATOM 0 HA2 GLY A 544 -9.943 -18.472 23.771 1.00 41.14 H new ATOM 0 HA3 GLY A 544 -10.812 -19.032 22.357 1.00 41.14 H new ATOM 676 N THR A 545 -12.303 -20.490 23.658 1.00 72.41 N ATOM 677 CA THR A 545 -13.134 -21.419 24.353 1.00 72.04 C ATOM 678 C THR A 545 -12.675 -22.826 23.994 1.00 45.44 C ATOM 679 O THR A 545 -12.884 -23.781 24.737 1.00 4.31 O ATOM 680 CB THR A 545 -14.623 -21.199 24.028 1.00 3.35 C ATOM 681 OG1 THR A 545 -14.796 -21.056 22.616 1.00 13.34 O ATOM 682 CG2 THR A 545 -15.138 -19.953 24.712 1.00 54.20 C ATOM 0 H THR A 545 -12.722 -20.077 22.825 1.00 72.41 H new ATOM 0 HA THR A 545 -13.038 -21.269 25.428 1.00 72.04 H new ATOM 0 HB THR A 545 -15.182 -22.063 24.387 1.00 3.35 H new ATOM 0 HG1 THR A 545 -15.745 -20.918 22.415 1.00 13.34 H new ATOM 0 HG21 THR A 545 -16.192 -19.814 24.470 1.00 54.20 H new ATOM 0 HG22 THR A 545 -15.024 -20.057 25.791 1.00 54.20 H new ATOM 0 HG23 THR A 545 -14.570 -19.088 24.368 1.00 54.20 H new ATOM 690 N ALA A 546 -12.034 -22.926 22.839 1.00 44.42 N ATOM 691 CA ALA A 546 -11.398 -24.137 22.416 1.00 21.05 C ATOM 692 C ALA A 546 -9.957 -24.071 22.892 1.00 12.13 C ATOM 693 O ALA A 546 -9.310 -23.012 22.780 1.00 71.33 O ATOM 694 CB ALA A 546 -11.467 -24.275 20.903 1.00 70.44 C ATOM 0 H ALA A 546 -11.947 -22.157 22.174 1.00 44.42 H new ATOM 0 HA ALA A 546 -11.899 -25.009 22.837 1.00 21.05 H new ATOM 0 HB1 ALA A 546 -10.979 -25.201 20.599 1.00 70.44 H new ATOM 0 HB2 ALA A 546 -12.510 -24.294 20.587 1.00 70.44 H new ATOM 0 HB3 ALA A 546 -10.962 -23.429 20.437 1.00 70.44 H new ATOM 700 N ARG A 547 -9.469 -25.146 23.440 1.00 60.35 N ATOM 701 CA ARG A 547 -8.152 -25.163 24.027 1.00 54.42 C ATOM 702 C ARG A 547 -7.130 -25.916 23.206 1.00 1.02 C ATOM 703 O ARG A 547 -7.464 -26.866 22.458 1.00 40.11 O ATOM 704 CB ARG A 547 -8.217 -25.717 25.419 1.00 3.31 C ATOM 705 CG ARG A 547 -9.040 -24.846 26.340 1.00 65.13 C ATOM 706 CD ARG A 547 -8.957 -25.316 27.750 1.00 25.23 C ATOM 707 NE ARG A 547 -7.622 -25.105 28.330 1.00 14.45 N ATOM 708 CZ ARG A 547 -7.014 -25.962 29.155 1.00 13.03 C ATOM 709 NH1 ARG A 547 -7.407 -27.229 29.204 1.00 1.44 N ATOM 710 NH2 ARG A 547 -5.946 -25.581 29.836 1.00 55.24 N ATOM 0 H ARG A 547 -9.967 -26.034 23.495 1.00 60.35 H new ATOM 0 HA ARG A 547 -7.812 -24.128 24.053 1.00 54.42 H new ATOM 0 HB2 ARG A 547 -8.645 -26.719 25.390 1.00 3.31 H new ATOM 0 HB3 ARG A 547 -7.207 -25.813 25.818 1.00 3.31 H new ATOM 0 HG2 ARG A 547 -8.690 -23.815 26.277 1.00 65.13 H new ATOM 0 HG3 ARG A 547 -10.080 -24.850 26.014 1.00 65.13 H new ATOM 0 HD2 ARG A 547 -9.699 -24.790 28.350 1.00 25.23 H new ATOM 0 HD3 ARG A 547 -9.206 -26.376 27.793 1.00 25.23 H new ATOM 0 HE ARG A 547 -7.127 -24.247 28.086 1.00 14.45 H new ATOM 0 HH11 ARG A 547 -8.173 -27.549 28.612 1.00 1.44 H new ATOM 0 HH12 ARG A 547 -6.943 -27.883 29.834 1.00 1.44 H new ATOM 0 HH21 ARG A 547 -5.586 -24.632 29.731 1.00 55.24 H new ATOM 0 HH22 ARG A 547 -5.482 -26.236 30.466 1.00 55.24 H new ATOM 724 N GLY A 548 -5.884 -25.501 23.352 1.00 3.40 N ATOM 725 CA GLY A 548 -4.796 -26.101 22.638 1.00 43.22 C ATOM 726 C GLY A 548 -4.172 -27.228 23.418 1.00 51.51 C ATOM 727 O GLY A 548 -4.627 -27.567 24.531 1.00 22.23 O ATOM 0 H GLY A 548 -5.609 -24.738 23.971 1.00 3.40 H new ATOM 0 HA2 GLY A 548 -5.153 -26.476 21.679 1.00 43.22 H new ATOM 0 HA3 GLY A 548 -4.041 -25.345 22.423 1.00 43.22 H new ATOM 731 N GLY A 549 -3.134 -27.779 22.876 1.00 62.10 N ATOM 732 CA GLY A 549 -2.484 -28.917 23.456 1.00 32.32 C ATOM 733 C GLY A 549 -3.064 -30.186 22.896 1.00 41.01 C ATOM 734 O GLY A 549 -2.987 -31.248 23.517 1.00 22.34 O ATOM 0 H GLY A 549 -2.707 -27.451 22.010 1.00 62.10 H new ATOM 0 HA2 GLY A 549 -1.414 -28.877 23.253 1.00 32.32 H new ATOM 0 HA3 GLY A 549 -2.604 -28.901 24.539 1.00 32.32 H new ATOM 738 N GLY A 550 -3.665 -30.073 21.707 1.00 74.43 N ATOM 739 CA GLY A 550 -4.321 -31.198 21.107 1.00 61.43 C ATOM 740 C GLY A 550 -5.579 -31.521 21.880 1.00 33.25 C ATOM 741 O GLY A 550 -5.947 -32.675 22.026 1.00 70.44 O ATOM 0 H GLY A 550 -3.701 -29.214 21.159 1.00 74.43 H new ATOM 0 HA2 GLY A 550 -4.567 -30.977 20.068 1.00 61.43 H new ATOM 0 HA3 GLY A 550 -3.654 -32.060 21.101 1.00 61.43 H new ATOM 745 N GLU A 551 -6.219 -30.489 22.401 1.00 42.33 N ATOM 746 CA GLU A 551 -7.389 -30.676 23.225 1.00 22.04 C ATOM 747 C GLU A 551 -8.644 -30.533 22.387 1.00 11.15 C ATOM 748 O GLU A 551 -9.364 -31.499 22.182 1.00 64.33 O ATOM 749 CB GLU A 551 -7.362 -29.715 24.426 1.00 11.42 C ATOM 750 CG GLU A 551 -8.407 -30.019 25.478 1.00 33.23 C ATOM 751 CD GLU A 551 -8.083 -29.348 26.774 1.00 42.51 C ATOM 752 OE1 GLU A 551 -7.014 -29.656 27.344 1.00 3.11 O ATOM 753 OE2 GLU A 551 -8.881 -28.523 27.269 1.00 53.42 O ATOM 0 H GLU A 551 -5.945 -29.516 22.265 1.00 42.33 H new ATOM 0 HA GLU A 551 -7.389 -31.687 23.634 1.00 22.04 H new ATOM 0 HB2 GLU A 551 -6.375 -29.753 24.887 1.00 11.42 H new ATOM 0 HB3 GLU A 551 -7.508 -28.696 24.067 1.00 11.42 H new ATOM 0 HG2 GLU A 551 -9.385 -29.688 25.129 1.00 33.23 H new ATOM 0 HG3 GLU A 551 -8.471 -31.096 25.630 1.00 33.23 H new ATOM 760 N ASP A 552 -8.894 -29.343 21.900 1.00 4.44 N ATOM 761 CA ASP A 552 -10.013 -29.131 20.987 1.00 62.24 C ATOM 762 C ASP A 552 -9.464 -28.985 19.600 1.00 41.42 C ATOM 763 O ASP A 552 -10.019 -29.476 18.622 1.00 5.10 O ATOM 764 CB ASP A 552 -10.821 -27.881 21.342 1.00 24.42 C ATOM 765 CG ASP A 552 -11.514 -27.959 22.678 1.00 32.43 C ATOM 766 OD1 ASP A 552 -12.562 -28.615 22.788 1.00 54.52 O ATOM 767 OD2 ASP A 552 -11.037 -27.322 23.645 1.00 12.04 O ATOM 0 H ASP A 552 -8.349 -28.507 22.112 1.00 4.44 H new ATOM 0 HA ASP A 552 -10.685 -29.986 21.062 1.00 62.24 H new ATOM 0 HB2 ASP A 552 -10.156 -27.018 21.339 1.00 24.42 H new ATOM 0 HB3 ASP A 552 -11.568 -27.711 20.566 1.00 24.42 H new ATOM 772 N PHE A 553 -8.349 -28.323 19.512 1.00 24.23 N ATOM 773 CA PHE A 553 -7.694 -28.138 18.261 1.00 34.34 C ATOM 774 C PHE A 553 -6.240 -28.455 18.429 1.00 65.23 C ATOM 775 O PHE A 553 -5.721 -28.472 19.565 1.00 14.42 O ATOM 776 CB PHE A 553 -7.874 -26.699 17.725 1.00 4.43 C ATOM 777 CG PHE A 553 -7.206 -25.618 18.547 1.00 32.41 C ATOM 778 CD1 PHE A 553 -7.863 -25.018 19.603 1.00 13.42 C ATOM 779 CD2 PHE A 553 -5.919 -25.197 18.244 1.00 61.10 C ATOM 780 CE1 PHE A 553 -7.250 -24.022 20.339 1.00 3.24 C ATOM 781 CE2 PHE A 553 -5.305 -24.211 18.978 1.00 41.45 C ATOM 782 CZ PHE A 553 -5.970 -23.622 20.024 1.00 54.32 C ATOM 0 H PHE A 553 -7.872 -27.898 20.307 1.00 24.23 H new ATOM 0 HA PHE A 553 -8.143 -28.808 17.528 1.00 34.34 H new ATOM 0 HB2 PHE A 553 -7.482 -26.655 16.709 1.00 4.43 H new ATOM 0 HB3 PHE A 553 -8.940 -26.481 17.665 1.00 4.43 H new ATOM 0 HD1 PHE A 553 -8.865 -25.330 19.856 1.00 13.42 H new ATOM 0 HD2 PHE A 553 -5.392 -25.651 17.418 1.00 61.10 H new ATOM 0 HE1 PHE A 553 -7.774 -23.557 21.161 1.00 3.24 H new ATOM 0 HE2 PHE A 553 -4.300 -23.900 18.732 1.00 41.45 H new ATOM 0 HZ PHE A 553 -5.490 -22.845 20.600 1.00 54.32 H new ATOM 792 N GLU A 554 -5.607 -28.757 17.346 1.00 51.13 N ATOM 793 CA GLU A 554 -4.203 -28.989 17.329 1.00 71.51 C ATOM 794 C GLU A 554 -3.517 -27.654 17.025 1.00 13.32 C ATOM 795 O GLU A 554 -3.893 -26.955 16.080 1.00 51.24 O ATOM 796 CB GLU A 554 -3.890 -30.032 16.270 1.00 64.31 C ATOM 797 CG GLU A 554 -2.911 -31.092 16.717 1.00 41.34 C ATOM 798 CD GLU A 554 -1.541 -30.564 17.006 1.00 73.44 C ATOM 799 OE1 GLU A 554 -1.269 -30.158 18.147 1.00 55.52 O ATOM 800 OE2 GLU A 554 -0.704 -30.540 16.095 1.00 43.35 O ATOM 0 H GLU A 554 -6.057 -28.851 16.435 1.00 51.13 H new ATOM 0 HA GLU A 554 -3.843 -29.366 18.286 1.00 71.51 H new ATOM 0 HB2 GLU A 554 -4.819 -30.515 15.966 1.00 64.31 H new ATOM 0 HB3 GLU A 554 -3.489 -29.531 15.389 1.00 64.31 H new ATOM 0 HG2 GLU A 554 -3.299 -31.578 17.612 1.00 41.34 H new ATOM 0 HG3 GLU A 554 -2.840 -31.857 15.944 1.00 41.34 H new ATOM 807 N ASP A 555 -2.558 -27.306 17.842 1.00 74.41 N ATOM 808 CA ASP A 555 -1.863 -26.018 17.767 1.00 45.33 C ATOM 809 C ASP A 555 -0.998 -25.971 16.556 1.00 43.12 C ATOM 810 O ASP A 555 -0.304 -26.943 16.245 1.00 73.52 O ATOM 811 CB ASP A 555 -0.948 -25.813 18.976 1.00 4.32 C ATOM 812 CG ASP A 555 -1.641 -25.951 20.292 1.00 30.43 C ATOM 813 OD1 ASP A 555 -2.027 -27.088 20.637 1.00 53.30 O ATOM 814 OD2 ASP A 555 -1.764 -24.953 21.022 1.00 50.31 O ATOM 0 H ASP A 555 -2.222 -27.908 18.594 1.00 74.41 H new ATOM 0 HA ASP A 555 -2.629 -25.243 17.737 1.00 45.33 H new ATOM 0 HB2 ASP A 555 -0.133 -26.535 18.929 1.00 4.32 H new ATOM 0 HB3 ASP A 555 -0.499 -24.821 18.915 1.00 4.32 H new ATOM 819 N THR A 556 -1.011 -24.880 15.876 1.00 31.31 N ATOM 820 CA THR A 556 -0.168 -24.731 14.748 1.00 65.00 C ATOM 821 C THR A 556 0.410 -23.333 14.714 1.00 21.21 C ATOM 822 O THR A 556 -0.218 -22.359 15.173 1.00 24.53 O ATOM 823 CB THR A 556 -0.873 -25.099 13.389 1.00 41.32 C ATOM 824 OG1 THR A 556 0.048 -25.006 12.297 1.00 52.35 O ATOM 825 CG2 THR A 556 -2.054 -24.199 13.097 1.00 52.05 C ATOM 0 H THR A 556 -1.600 -24.074 16.084 1.00 31.31 H new ATOM 0 HA THR A 556 0.644 -25.450 14.857 1.00 65.00 H new ATOM 0 HB THR A 556 -1.229 -26.124 13.495 1.00 41.32 H new ATOM 0 HG1 THR A 556 -0.409 -25.240 11.462 1.00 52.35 H new ATOM 0 HG21 THR A 556 -2.508 -24.491 12.150 1.00 52.05 H new ATOM 0 HG22 THR A 556 -2.789 -24.293 13.896 1.00 52.05 H new ATOM 0 HG23 THR A 556 -1.716 -23.165 13.034 1.00 52.05 H new ATOM 833 N CYS A 557 1.606 -23.259 14.267 1.00 0.10 N ATOM 834 CA CYS A 557 2.296 -22.045 14.059 1.00 25.33 C ATOM 835 C CYS A 557 3.136 -22.243 12.824 1.00 25.23 C ATOM 836 O CYS A 557 3.788 -23.282 12.669 1.00 34.53 O ATOM 837 CB CYS A 557 3.137 -21.655 15.291 1.00 3.13 C ATOM 838 SG CYS A 557 4.274 -22.932 15.884 1.00 41.22 S ATOM 0 H CYS A 557 2.157 -24.083 14.025 1.00 0.10 H new ATOM 0 HA CYS A 557 1.605 -21.214 13.916 1.00 25.33 H new ATOM 0 HB2 CYS A 557 3.713 -20.762 15.050 1.00 3.13 H new ATOM 0 HB3 CYS A 557 2.461 -21.388 16.103 1.00 3.13 H new ATOM 0 HG CYS A 557 4.925 -22.488 16.918 1.00 41.22 H new ATOM 844 N GLY A 558 3.111 -21.313 11.933 1.00 74.13 N ATOM 845 CA GLY A 558 3.779 -21.529 10.717 1.00 4.33 C ATOM 846 C GLY A 558 4.082 -20.281 10.019 1.00 64.52 C ATOM 847 O GLY A 558 3.884 -19.186 10.565 1.00 14.42 O ATOM 0 H GLY A 558 2.641 -20.413 12.029 1.00 74.13 H new ATOM 0 HA2 GLY A 558 4.706 -22.071 10.906 1.00 4.33 H new ATOM 0 HA3 GLY A 558 3.165 -22.161 10.076 1.00 4.33 H new ATOM 851 N GLU A 559 4.508 -20.432 8.810 1.00 23.44 N ATOM 852 CA GLU A 559 4.934 -19.353 7.989 1.00 12.02 C ATOM 853 C GLU A 559 4.432 -19.587 6.577 1.00 25.43 C ATOM 854 O GLU A 559 4.812 -20.571 5.929 1.00 2.12 O ATOM 855 CB GLU A 559 6.458 -19.303 8.007 1.00 45.45 C ATOM 856 CG GLU A 559 7.066 -18.969 9.361 1.00 30.45 C ATOM 857 CD GLU A 559 8.570 -19.088 9.368 1.00 41.11 C ATOM 858 OE1 GLU A 559 9.261 -18.112 9.055 1.00 2.34 O ATOM 859 OE2 GLU A 559 9.091 -20.180 9.684 1.00 63.43 O ATOM 0 H GLU A 559 4.571 -21.341 8.352 1.00 23.44 H new ATOM 0 HA GLU A 559 4.538 -18.406 8.356 1.00 12.02 H new ATOM 0 HB2 GLU A 559 6.844 -20.268 7.679 1.00 45.45 H new ATOM 0 HB3 GLU A 559 6.793 -18.562 7.281 1.00 45.45 H new ATOM 0 HG2 GLU A 559 6.784 -17.954 9.641 1.00 30.45 H new ATOM 0 HG3 GLU A 559 6.649 -19.635 10.116 1.00 30.45 H new ATOM 866 N LEU A 560 3.567 -18.730 6.117 1.00 55.31 N ATOM 867 CA LEU A 560 3.020 -18.829 4.785 1.00 42.31 C ATOM 868 C LEU A 560 3.888 -18.075 3.830 1.00 24.23 C ATOM 869 O LEU A 560 4.282 -16.944 4.110 1.00 63.23 O ATOM 870 CB LEU A 560 1.602 -18.277 4.721 1.00 20.15 C ATOM 871 CG LEU A 560 0.553 -18.992 5.556 1.00 23.23 C ATOM 872 CD1 LEU A 560 -0.796 -18.339 5.369 1.00 23.24 C ATOM 873 CD2 LEU A 560 0.493 -20.470 5.202 1.00 60.43 C ATOM 0 H LEU A 560 3.216 -17.937 6.654 1.00 55.31 H new ATOM 0 HA LEU A 560 2.988 -19.884 4.512 1.00 42.31 H new ATOM 0 HB2 LEU A 560 1.629 -17.232 5.031 1.00 20.15 H new ATOM 0 HB3 LEU A 560 1.277 -18.293 3.681 1.00 20.15 H new ATOM 0 HG LEU A 560 0.834 -18.912 6.606 1.00 23.23 H new ATOM 0 HD11 LEU A 560 -1.539 -18.860 5.972 1.00 23.24 H new ATOM 0 HD12 LEU A 560 -0.742 -17.296 5.681 1.00 23.24 H new ATOM 0 HD13 LEU A 560 -1.082 -18.389 4.318 1.00 23.24 H new ATOM 0 HD21 LEU A 560 -0.265 -20.960 5.813 1.00 60.43 H new ATOM 0 HD22 LEU A 560 0.238 -20.582 4.148 1.00 60.43 H new ATOM 0 HD23 LEU A 560 1.463 -20.929 5.391 1.00 60.43 H new ATOM 885 N GLU A 561 4.192 -18.678 2.725 1.00 73.03 N ATOM 886 CA GLU A 561 5.041 -18.049 1.768 1.00 2.11 C ATOM 887 C GLU A 561 4.229 -17.481 0.617 1.00 42.11 C ATOM 888 O GLU A 561 3.517 -18.212 -0.089 1.00 51.11 O ATOM 889 CB GLU A 561 6.077 -19.026 1.252 1.00 65.43 C ATOM 890 CG GLU A 561 7.147 -18.365 0.419 1.00 44.22 C ATOM 891 CD GLU A 561 8.089 -19.348 -0.192 1.00 43.42 C ATOM 892 OE1 GLU A 561 7.631 -20.322 -0.831 1.00 33.44 O ATOM 893 OE2 GLU A 561 9.312 -19.202 0.001 1.00 5.32 O ATOM 0 H GLU A 561 3.863 -19.608 2.464 1.00 73.03 H new ATOM 0 HA GLU A 561 5.557 -17.226 2.262 1.00 2.11 H new ATOM 0 HB2 GLU A 561 6.543 -19.533 2.097 1.00 65.43 H new ATOM 0 HB3 GLU A 561 5.581 -19.792 0.655 1.00 65.43 H new ATOM 0 HG2 GLU A 561 6.677 -17.779 -0.371 1.00 44.22 H new ATOM 0 HG3 GLU A 561 7.708 -17.668 1.042 1.00 44.22 H new ATOM 900 N PHE A 562 4.320 -16.194 0.445 1.00 64.54 N ATOM 901 CA PHE A 562 3.661 -15.509 -0.631 1.00 34.52 C ATOM 902 C PHE A 562 4.699 -14.845 -1.491 1.00 44.22 C ATOM 903 O PHE A 562 5.778 -14.480 -1.014 1.00 4.03 O ATOM 904 CB PHE A 562 2.655 -14.474 -0.119 1.00 2.40 C ATOM 905 CG PHE A 562 1.429 -15.058 0.531 1.00 14.21 C ATOM 906 CD1 PHE A 562 1.409 -15.347 1.883 1.00 62.13 C ATOM 907 CD2 PHE A 562 0.287 -15.294 -0.214 1.00 3.43 C ATOM 908 CE1 PHE A 562 0.275 -15.862 2.477 1.00 14.40 C ATOM 909 CE2 PHE A 562 -0.846 -15.811 0.373 1.00 71.23 C ATOM 910 CZ PHE A 562 -0.854 -16.094 1.721 1.00 12.21 C ATOM 0 H PHE A 562 4.861 -15.582 1.056 1.00 64.54 H new ATOM 0 HA PHE A 562 3.099 -16.239 -1.214 1.00 34.52 H new ATOM 0 HB2 PHE A 562 3.156 -13.824 0.599 1.00 2.40 H new ATOM 0 HB3 PHE A 562 2.343 -13.846 -0.954 1.00 2.40 H new ATOM 0 HD1 PHE A 562 2.291 -15.168 2.481 1.00 62.13 H new ATOM 0 HD2 PHE A 562 0.284 -15.070 -1.270 1.00 3.43 H new ATOM 0 HE1 PHE A 562 0.272 -16.083 3.534 1.00 14.40 H new ATOM 0 HE2 PHE A 562 -1.728 -15.995 -0.223 1.00 71.23 H new ATOM 0 HZ PHE A 562 -1.743 -16.497 2.184 1.00 12.21 H new ATOM 920 N GLN A 563 4.411 -14.711 -2.747 1.00 53.01 N ATOM 921 CA GLN A 563 5.330 -14.124 -3.682 1.00 4.45 C ATOM 922 C GLN A 563 4.520 -13.388 -4.702 1.00 33.30 C ATOM 923 O GLN A 563 3.293 -13.410 -4.631 1.00 61.23 O ATOM 924 CB GLN A 563 6.191 -15.202 -4.386 1.00 4.04 C ATOM 925 CG GLN A 563 6.925 -16.139 -3.435 1.00 15.41 C ATOM 926 CD GLN A 563 7.873 -17.109 -4.092 1.00 41.02 C ATOM 927 OE1 GLN A 563 8.489 -16.708 -5.148 1.00 54.44 O flip ATOM 928 NE2 GLN A 563 8.067 -18.213 -3.614 1.00 50.34 N flip ATOM 0 H GLN A 563 3.526 -15.007 -3.160 1.00 53.01 H new ATOM 0 HA GLN A 563 6.011 -13.457 -3.153 1.00 4.45 H new ATOM 0 HB2 GLN A 563 5.549 -15.795 -5.037 1.00 4.04 H new ATOM 0 HB3 GLN A 563 6.922 -14.706 -5.025 1.00 4.04 H new ATOM 0 HG2 GLN A 563 7.485 -15.538 -2.719 1.00 15.41 H new ATOM 0 HG3 GLN A 563 6.187 -16.706 -2.867 1.00 15.41 H new ATOM 0 HE21 GLN A 563 7.563 -18.502 -2.776 1.00 50.34 H new ATOM 0 HE22 GLN A 563 8.734 -18.849 -4.052 1.00 50.34 H new ATOM 937 N ASN A 564 5.182 -12.759 -5.643 1.00 51.40 N ATOM 938 CA ASN A 564 4.494 -12.064 -6.727 1.00 11.21 C ATOM 939 C ASN A 564 3.837 -13.070 -7.674 1.00 60.51 C ATOM 940 O ASN A 564 2.846 -12.760 -8.340 1.00 24.12 O ATOM 941 CB ASN A 564 5.449 -11.105 -7.492 1.00 14.33 C ATOM 942 CG ASN A 564 6.669 -11.783 -8.105 1.00 60.32 C ATOM 943 OD1 ASN A 564 7.708 -11.915 -7.453 1.00 45.31 O ATOM 944 ND2 ASN A 564 6.577 -12.177 -9.355 1.00 30.31 N ATOM 0 H ASN A 564 6.200 -12.709 -5.688 1.00 51.40 H new ATOM 0 HA ASN A 564 3.711 -11.447 -6.287 1.00 11.21 H new ATOM 0 HB2 ASN A 564 4.888 -10.610 -8.285 1.00 14.33 H new ATOM 0 HB3 ASN A 564 5.787 -10.327 -6.807 1.00 14.33 H new ATOM 0 HD21 ASN A 564 7.380 -12.607 -9.815 1.00 30.31 H new ATOM 0 HD22 ASN A 564 5.703 -12.053 -9.866 1.00 30.31 H new ATOM 951 N ASP A 565 4.388 -14.274 -7.715 1.00 21.53 N ATOM 952 CA ASP A 565 3.841 -15.338 -8.551 1.00 52.53 C ATOM 953 C ASP A 565 2.813 -16.180 -7.801 1.00 20.11 C ATOM 954 O ASP A 565 1.834 -16.651 -8.391 1.00 11.54 O ATOM 955 CB ASP A 565 4.957 -16.234 -9.075 1.00 60.34 C ATOM 956 CG ASP A 565 4.447 -17.355 -9.955 1.00 42.22 C ATOM 957 OD1 ASP A 565 4.120 -17.103 -11.137 1.00 4.02 O ATOM 958 OD2 ASP A 565 4.390 -18.509 -9.494 1.00 60.25 O ATOM 0 H ASP A 565 5.214 -14.541 -7.180 1.00 21.53 H new ATOM 0 HA ASP A 565 3.336 -14.860 -9.390 1.00 52.53 H new ATOM 0 HB2 ASP A 565 5.667 -15.629 -9.640 1.00 60.34 H new ATOM 0 HB3 ASP A 565 5.501 -16.659 -8.232 1.00 60.34 H new ATOM 963 N GLU A 566 3.025 -16.351 -6.507 1.00 1.41 N ATOM 964 CA GLU A 566 2.157 -17.153 -5.673 1.00 72.25 C ATOM 965 C GLU A 566 0.775 -16.527 -5.532 1.00 72.01 C ATOM 966 O GLU A 566 0.621 -15.310 -5.617 1.00 65.41 O ATOM 967 CB GLU A 566 2.788 -17.353 -4.308 1.00 25.33 C ATOM 968 CG GLU A 566 4.037 -18.218 -4.313 1.00 40.50 C ATOM 969 CD GLU A 566 3.770 -19.587 -4.870 1.00 63.31 C ATOM 970 OE1 GLU A 566 2.909 -20.294 -4.321 1.00 10.30 O ATOM 971 OE2 GLU A 566 4.378 -19.953 -5.893 1.00 64.01 O ATOM 0 H GLU A 566 3.809 -15.933 -6.006 1.00 1.41 H new ATOM 0 HA GLU A 566 2.030 -18.122 -6.156 1.00 72.25 H new ATOM 0 HB2 GLU A 566 3.038 -16.378 -3.891 1.00 25.33 H new ATOM 0 HB3 GLU A 566 2.051 -17.804 -3.644 1.00 25.33 H new ATOM 0 HG2 GLU A 566 4.813 -17.731 -4.904 1.00 40.50 H new ATOM 0 HG3 GLU A 566 4.420 -18.308 -3.296 1.00 40.50 H new ATOM 978 N ILE A 567 -0.208 -17.358 -5.306 1.00 3.04 N ATOM 979 CA ILE A 567 -1.574 -16.912 -5.211 1.00 63.15 C ATOM 980 C ILE A 567 -2.094 -16.849 -3.772 1.00 22.34 C ATOM 981 O ILE A 567 -2.011 -15.792 -3.132 1.00 4.33 O ATOM 982 CB ILE A 567 -2.539 -17.711 -6.131 1.00 33.33 C ATOM 983 CG1 ILE A 567 -2.208 -19.223 -6.113 1.00 31.23 C ATOM 984 CG2 ILE A 567 -2.486 -17.158 -7.548 1.00 0.25 C ATOM 985 CD1 ILE A 567 -3.259 -20.091 -6.752 1.00 24.33 C ATOM 0 H ILE A 567 -0.085 -18.363 -5.183 1.00 3.04 H new ATOM 0 HA ILE A 567 -1.558 -15.887 -5.580 1.00 63.15 H new ATOM 0 HB ILE A 567 -3.553 -17.595 -5.749 1.00 33.33 H new ATOM 0 HG12 ILE A 567 -1.260 -19.382 -6.626 1.00 31.23 H new ATOM 0 HG13 ILE A 567 -2.069 -19.541 -5.080 1.00 31.23 H new ATOM 0 HG21 ILE A 567 -3.165 -17.724 -8.185 1.00 0.25 H new ATOM 0 HG22 ILE A 567 -2.784 -16.110 -7.541 1.00 0.25 H new ATOM 0 HG23 ILE A 567 -1.470 -17.244 -7.934 1.00 0.25 H new ATOM 0 HD11 ILE A 567 -2.951 -21.135 -6.698 1.00 24.33 H new ATOM 0 HD12 ILE A 567 -4.205 -19.964 -6.226 1.00 24.33 H new ATOM 0 HD13 ILE A 567 -3.383 -19.803 -7.796 1.00 24.33 H new ATOM 997 N VAL A 568 -2.600 -17.955 -3.262 1.00 11.33 N ATOM 998 CA VAL A 568 -3.171 -17.999 -1.942 1.00 21.14 C ATOM 999 C VAL A 568 -2.627 -19.201 -1.171 1.00 2.35 C ATOM 1000 O VAL A 568 -2.273 -20.229 -1.766 1.00 71.40 O ATOM 1001 CB VAL A 568 -4.744 -18.058 -2.002 1.00 50.10 C ATOM 1002 CG1 VAL A 568 -5.252 -19.313 -2.687 1.00 63.14 C ATOM 1003 CG2 VAL A 568 -5.367 -17.929 -0.629 1.00 50.11 C ATOM 0 H VAL A 568 -2.624 -18.847 -3.757 1.00 11.33 H new ATOM 0 HA VAL A 568 -2.888 -17.084 -1.422 1.00 21.14 H new ATOM 0 HB VAL A 568 -5.050 -17.202 -2.603 1.00 50.10 H new ATOM 0 HG11 VAL A 568 -6.342 -19.304 -2.702 1.00 63.14 H new ATOM 0 HG12 VAL A 568 -4.876 -19.347 -3.709 1.00 63.14 H new ATOM 0 HG13 VAL A 568 -4.904 -20.191 -2.143 1.00 63.14 H new ATOM 0 HG21 VAL A 568 -6.453 -17.975 -0.716 1.00 50.11 H new ATOM 0 HG22 VAL A 568 -5.019 -18.744 0.006 1.00 50.11 H new ATOM 0 HG23 VAL A 568 -5.078 -16.976 -0.187 1.00 50.11 H new ATOM 1013 N LYS A 569 -2.522 -19.054 0.127 1.00 34.34 N ATOM 1014 CA LYS A 569 -2.115 -20.120 0.998 1.00 54.11 C ATOM 1015 C LYS A 569 -3.201 -20.392 2.009 1.00 54.11 C ATOM 1016 O LYS A 569 -4.083 -19.549 2.229 1.00 52.32 O ATOM 1017 CB LYS A 569 -0.811 -19.797 1.726 1.00 21.52 C ATOM 1018 CG LYS A 569 0.442 -19.838 0.863 1.00 74.14 C ATOM 1019 CD LYS A 569 1.453 -20.871 1.388 1.00 44.22 C ATOM 1020 CE LYS A 569 0.870 -22.287 1.406 1.00 15.03 C ATOM 1021 NZ LYS A 569 1.852 -23.312 1.811 1.00 63.11 N ATOM 0 H LYS A 569 -2.720 -18.178 0.611 1.00 34.34 H new ATOM 0 HA LYS A 569 -1.944 -21.003 0.382 1.00 54.11 H new ATOM 0 HB2 LYS A 569 -0.896 -18.804 2.167 1.00 21.52 H new ATOM 0 HB3 LYS A 569 -0.689 -20.502 2.549 1.00 21.52 H new ATOM 0 HG2 LYS A 569 0.170 -20.082 -0.164 1.00 74.14 H new ATOM 0 HG3 LYS A 569 0.905 -18.851 0.844 1.00 74.14 H new ATOM 0 HD2 LYS A 569 2.346 -20.855 0.763 1.00 44.22 H new ATOM 0 HD3 LYS A 569 1.764 -20.594 2.395 1.00 44.22 H new ATOM 0 HE2 LYS A 569 0.021 -22.315 2.089 1.00 15.03 H new ATOM 0 HE3 LYS A 569 0.489 -22.529 0.414 1.00 15.03 H new ATOM 0 HZ1 LYS A 569 1.399 -24.248 1.804 1.00 63.11 H new ATOM 0 HZ2 LYS A 569 2.651 -23.309 1.146 1.00 63.11 H new ATOM 0 HZ3 LYS A 569 2.198 -23.102 2.769 1.00 63.11 H new ATOM 1035 N THR A 570 -3.146 -21.549 2.597 1.00 11.43 N ATOM 1036 CA THR A 570 -4.086 -21.958 3.597 1.00 32.04 C ATOM 1037 C THR A 570 -3.380 -22.386 4.862 1.00 54.44 C ATOM 1038 O THR A 570 -2.202 -22.775 4.833 1.00 61.25 O ATOM 1039 CB THR A 570 -4.934 -23.142 3.094 1.00 14.43 C ATOM 1040 OG1 THR A 570 -4.097 -24.067 2.401 1.00 31.00 O ATOM 1041 CG2 THR A 570 -6.059 -22.698 2.192 1.00 31.35 C ATOM 0 H THR A 570 -2.433 -22.249 2.391 1.00 11.43 H new ATOM 0 HA THR A 570 -4.727 -21.102 3.806 1.00 32.04 H new ATOM 0 HB THR A 570 -5.384 -23.619 3.965 1.00 14.43 H new ATOM 0 HG1 THR A 570 -4.648 -24.775 2.007 1.00 31.00 H new ATOM 0 HG21 THR A 570 -6.627 -23.568 1.864 1.00 31.35 H new ATOM 0 HG22 THR A 570 -6.716 -22.020 2.737 1.00 31.35 H new ATOM 0 HG23 THR A 570 -5.648 -22.185 1.323 1.00 31.35 H new ATOM 1049 N ILE A 571 -4.066 -22.268 5.962 1.00 60.22 N ATOM 1050 CA ILE A 571 -3.593 -22.812 7.207 1.00 13.45 C ATOM 1051 C ILE A 571 -4.342 -24.100 7.414 1.00 51.40 C ATOM 1052 O ILE A 571 -5.572 -24.094 7.387 1.00 60.55 O ATOM 1053 CB ILE A 571 -3.835 -21.881 8.455 1.00 5.25 C ATOM 1054 CG1 ILE A 571 -3.046 -20.575 8.378 1.00 3.13 C ATOM 1055 CG2 ILE A 571 -3.475 -22.599 9.744 1.00 40.22 C ATOM 1056 CD1 ILE A 571 -3.583 -19.558 7.416 1.00 13.20 C ATOM 0 H ILE A 571 -4.967 -21.794 6.024 1.00 60.22 H new ATOM 0 HA ILE A 571 -2.512 -22.936 7.136 1.00 13.45 H new ATOM 0 HB ILE A 571 -4.897 -21.637 8.448 1.00 5.25 H new ATOM 0 HG12 ILE A 571 -3.015 -20.129 9.372 1.00 3.13 H new ATOM 0 HG13 ILE A 571 -2.018 -20.807 8.100 1.00 3.13 H new ATOM 0 HG21 ILE A 571 -3.651 -21.936 10.591 1.00 40.22 H new ATOM 0 HG22 ILE A 571 -4.092 -23.492 9.848 1.00 40.22 H new ATOM 0 HG23 ILE A 571 -2.424 -22.886 9.719 1.00 40.22 H new ATOM 0 HD11 ILE A 571 -2.953 -18.669 7.437 1.00 13.20 H new ATOM 0 HD12 ILE A 571 -3.588 -19.976 6.409 1.00 13.20 H new ATOM 0 HD13 ILE A 571 -4.600 -19.288 7.702 1.00 13.20 H new ATOM 1068 N SER A 572 -3.630 -25.179 7.558 1.00 71.41 N ATOM 1069 CA SER A 572 -4.241 -26.460 7.779 1.00 74.22 C ATOM 1070 C SER A 572 -4.169 -26.823 9.261 1.00 43.43 C ATOM 1071 O SER A 572 -3.074 -26.985 9.821 1.00 11.41 O ATOM 1072 CB SER A 572 -3.569 -27.513 6.881 1.00 3.14 C ATOM 1073 OG SER A 572 -2.151 -27.450 6.971 1.00 34.11 O ATOM 0 H SER A 572 -2.611 -25.198 7.526 1.00 71.41 H new ATOM 0 HA SER A 572 -5.296 -26.425 7.509 1.00 74.22 H new ATOM 0 HB2 SER A 572 -3.909 -28.508 7.169 1.00 3.14 H new ATOM 0 HB3 SER A 572 -3.876 -27.359 5.846 1.00 3.14 H new ATOM 0 HG SER A 572 -1.889 -27.294 7.902 1.00 34.11 H new ATOM 1079 N VAL A 573 -5.322 -26.915 9.891 1.00 14.21 N ATOM 1080 CA VAL A 573 -5.413 -27.198 11.318 1.00 74.42 C ATOM 1081 C VAL A 573 -6.179 -28.486 11.554 1.00 50.35 C ATOM 1082 O VAL A 573 -7.235 -28.710 10.937 1.00 42.11 O ATOM 1083 CB VAL A 573 -6.141 -26.039 12.077 1.00 15.00 C ATOM 1084 CG1 VAL A 573 -6.309 -26.326 13.564 1.00 71.43 C ATOM 1085 CG2 VAL A 573 -5.417 -24.731 11.883 1.00 64.50 C ATOM 0 H VAL A 573 -6.226 -26.797 9.433 1.00 14.21 H new ATOM 0 HA VAL A 573 -4.396 -27.294 11.697 1.00 74.42 H new ATOM 0 HB VAL A 573 -7.139 -25.966 11.644 1.00 15.00 H new ATOM 0 HG11 VAL A 573 -6.820 -25.489 14.041 1.00 71.43 H new ATOM 0 HG12 VAL A 573 -6.899 -27.233 13.695 1.00 71.43 H new ATOM 0 HG13 VAL A 573 -5.329 -26.461 14.022 1.00 71.43 H new ATOM 0 HG21 VAL A 573 -5.942 -23.941 12.420 1.00 64.50 H new ATOM 0 HG22 VAL A 573 -4.401 -24.817 12.267 1.00 64.50 H new ATOM 0 HG23 VAL A 573 -5.384 -24.488 10.821 1.00 64.50 H new ATOM 1095 N LYS A 574 -5.648 -29.323 12.415 1.00 52.04 N ATOM 1096 CA LYS A 574 -6.299 -30.529 12.815 1.00 5.13 C ATOM 1097 C LYS A 574 -7.268 -30.233 13.942 1.00 2.34 C ATOM 1098 O LYS A 574 -6.882 -29.729 15.006 1.00 73.22 O ATOM 1099 CB LYS A 574 -5.256 -31.601 13.225 1.00 61.12 C ATOM 1100 CG LYS A 574 -5.813 -32.834 13.951 1.00 30.13 C ATOM 1101 CD LYS A 574 -6.864 -33.582 13.144 1.00 64.51 C ATOM 1102 CE LYS A 574 -7.463 -34.706 13.970 1.00 21.21 C ATOM 1103 NZ LYS A 574 -8.619 -35.349 13.309 1.00 12.34 N ATOM 0 H LYS A 574 -4.741 -29.175 12.857 1.00 52.04 H new ATOM 0 HA LYS A 574 -6.864 -30.932 11.974 1.00 5.13 H new ATOM 0 HB2 LYS A 574 -4.736 -31.936 12.328 1.00 61.12 H new ATOM 0 HB3 LYS A 574 -4.512 -31.130 13.868 1.00 61.12 H new ATOM 0 HG2 LYS A 574 -4.992 -33.512 14.183 1.00 30.13 H new ATOM 0 HG3 LYS A 574 -6.248 -32.523 14.901 1.00 30.13 H new ATOM 0 HD2 LYS A 574 -7.649 -32.894 12.831 1.00 64.51 H new ATOM 0 HD3 LYS A 574 -6.415 -33.988 12.237 1.00 64.51 H new ATOM 0 HE2 LYS A 574 -6.697 -35.457 14.163 1.00 21.21 H new ATOM 0 HE3 LYS A 574 -7.776 -34.313 14.937 1.00 21.21 H new ATOM 0 HZ1 LYS A 574 -8.988 -36.108 13.916 1.00 12.34 H new ATOM 0 HZ2 LYS A 574 -9.364 -34.642 13.147 1.00 12.34 H new ATOM 0 HZ3 LYS A 574 -8.319 -35.750 12.398 1.00 12.34 H new ATOM 1117 N VAL A 575 -8.512 -30.496 13.690 1.00 20.14 N ATOM 1118 CA VAL A 575 -9.525 -30.365 14.693 1.00 3.23 C ATOM 1119 C VAL A 575 -9.538 -31.673 15.442 1.00 2.11 C ATOM 1120 O VAL A 575 -9.698 -32.737 14.828 1.00 30.55 O ATOM 1121 CB VAL A 575 -10.922 -30.091 14.075 1.00 73.35 C ATOM 1122 CG1 VAL A 575 -11.972 -29.916 15.164 1.00 12.41 C ATOM 1123 CG2 VAL A 575 -10.879 -28.859 13.175 1.00 34.20 C ATOM 0 H VAL A 575 -8.856 -30.808 12.782 1.00 20.14 H new ATOM 0 HA VAL A 575 -9.307 -29.518 15.344 1.00 3.23 H new ATOM 0 HB VAL A 575 -11.198 -30.954 13.469 1.00 73.35 H new ATOM 0 HG11 VAL A 575 -12.943 -29.725 14.706 1.00 12.41 H new ATOM 0 HG12 VAL A 575 -12.027 -30.823 15.766 1.00 12.41 H new ATOM 0 HG13 VAL A 575 -11.699 -29.074 15.801 1.00 12.41 H new ATOM 0 HG21 VAL A 575 -11.868 -28.683 12.751 1.00 34.20 H new ATOM 0 HG22 VAL A 575 -10.576 -27.991 13.761 1.00 34.20 H new ATOM 0 HG23 VAL A 575 -10.163 -29.022 12.370 1.00 34.20 H new ATOM 1133 N ILE A 576 -9.298 -31.611 16.723 1.00 42.33 N ATOM 1134 CA ILE A 576 -9.202 -32.803 17.524 1.00 2.03 C ATOM 1135 C ILE A 576 -10.558 -33.446 17.650 1.00 43.51 C ATOM 1136 O ILE A 576 -11.559 -32.785 17.902 1.00 22.12 O ATOM 1137 CB ILE A 576 -8.571 -32.507 18.914 1.00 4.10 C ATOM 1138 CG1 ILE A 576 -7.197 -31.847 18.749 1.00 20.22 C ATOM 1139 CG2 ILE A 576 -8.449 -33.759 19.782 1.00 1.12 C ATOM 1140 CD1 ILE A 576 -6.176 -32.696 18.008 1.00 31.11 C ATOM 0 H ILE A 576 -9.164 -30.741 17.239 1.00 42.33 H new ATOM 0 HA ILE A 576 -8.535 -33.506 17.024 1.00 2.03 H new ATOM 0 HB ILE A 576 -9.246 -31.822 19.427 1.00 4.10 H new ATOM 0 HG12 ILE A 576 -7.322 -30.904 18.217 1.00 20.22 H new ATOM 0 HG13 ILE A 576 -6.803 -31.606 19.736 1.00 20.22 H new ATOM 0 HG21 ILE A 576 -8.002 -33.495 20.741 1.00 1.12 H new ATOM 0 HG22 ILE A 576 -9.439 -34.185 19.948 1.00 1.12 H new ATOM 0 HG23 ILE A 576 -7.819 -34.491 19.278 1.00 1.12 H new ATOM 0 HD11 ILE A 576 -5.234 -32.153 17.937 1.00 31.11 H new ATOM 0 HD12 ILE A 576 -6.017 -33.629 18.549 1.00 31.11 H new ATOM 0 HD13 ILE A 576 -6.544 -32.916 17.006 1.00 31.11 H new ATOM 1278 N LYS A 585 -17.050 -24.652 20.425 1.00 14.42 N ATOM 1279 CA LYS A 585 -16.081 -23.775 20.994 1.00 73.25 C ATOM 1280 C LYS A 585 -15.388 -23.096 19.846 1.00 11.45 C ATOM 1281 O LYS A 585 -15.549 -23.507 18.700 1.00 24.43 O ATOM 1282 CB LYS A 585 -15.047 -24.579 21.784 1.00 12.24 C ATOM 1283 CG LYS A 585 -15.594 -25.464 22.896 1.00 34.12 C ATOM 1284 CD LYS A 585 -14.466 -26.263 23.500 1.00 4.42 C ATOM 1285 CE LYS A 585 -14.922 -27.272 24.539 1.00 10.34 C ATOM 1286 NZ LYS A 585 -13.774 -28.063 25.033 1.00 75.34 N ATOM 0 HA LYS A 585 -16.556 -23.059 21.665 1.00 73.25 H new ATOM 0 HB2 LYS A 585 -14.495 -25.208 21.086 1.00 12.24 H new ATOM 0 HB3 LYS A 585 -14.331 -23.882 22.221 1.00 12.24 H new ATOM 0 HG2 LYS A 585 -16.072 -24.852 23.661 1.00 34.12 H new ATOM 0 HG3 LYS A 585 -16.358 -26.134 22.501 1.00 34.12 H new ATOM 0 HD2 LYS A 585 -13.937 -26.788 22.704 1.00 4.42 H new ATOM 0 HD3 LYS A 585 -13.753 -25.579 23.959 1.00 4.42 H new ATOM 0 HE2 LYS A 585 -15.400 -26.755 25.371 1.00 10.34 H new ATOM 0 HE3 LYS A 585 -15.669 -27.937 24.105 1.00 10.34 H new ATOM 0 HZ1 LYS A 585 -14.107 -28.759 25.730 1.00 75.34 H new ATOM 0 HZ2 LYS A 585 -13.325 -28.558 24.236 1.00 75.34 H new ATOM 0 HZ3 LYS A 585 -13.082 -27.428 25.481 1.00 75.34 H new ATOM 1300 N THR A 586 -14.624 -22.103 20.119 1.00 5.33 N ATOM 1301 CA THR A 586 -13.950 -21.400 19.094 1.00 5.31 C ATOM 1302 C THR A 586 -12.564 -20.976 19.554 1.00 10.01 C ATOM 1303 O THR A 586 -12.314 -20.783 20.759 1.00 22.40 O ATOM 1304 CB THR A 586 -14.804 -20.182 18.593 1.00 42.31 C ATOM 1305 OG1 THR A 586 -14.108 -19.432 17.608 1.00 62.22 O ATOM 1306 CG2 THR A 586 -15.210 -19.272 19.728 1.00 25.41 C ATOM 0 H THR A 586 -14.449 -21.755 21.062 1.00 5.33 H new ATOM 0 HA THR A 586 -13.819 -22.069 18.244 1.00 5.31 H new ATOM 0 HB THR A 586 -15.707 -20.600 18.148 1.00 42.31 H new ATOM 0 HG1 THR A 586 -13.712 -18.636 18.022 1.00 62.22 H new ATOM 0 HG21 THR A 586 -15.799 -18.443 19.337 1.00 25.41 H new ATOM 0 HG22 THR A 586 -15.806 -19.832 20.448 1.00 25.41 H new ATOM 0 HG23 THR A 586 -14.318 -18.883 20.219 1.00 25.41 H new ATOM 1314 N PHE A 587 -11.662 -20.918 18.615 1.00 54.11 N ATOM 1315 CA PHE A 587 -10.330 -20.464 18.834 1.00 53.41 C ATOM 1316 C PHE A 587 -10.035 -19.447 17.759 1.00 21.41 C ATOM 1317 O PHE A 587 -10.825 -19.298 16.829 1.00 42.41 O ATOM 1318 CB PHE A 587 -9.318 -21.628 18.806 1.00 34.31 C ATOM 1319 CG PHE A 587 -9.151 -22.347 17.489 1.00 30.22 C ATOM 1320 CD1 PHE A 587 -10.030 -23.342 17.099 1.00 60.12 C ATOM 1321 CD2 PHE A 587 -8.080 -22.044 16.661 1.00 70.04 C ATOM 1322 CE1 PHE A 587 -9.842 -24.018 15.908 1.00 21.13 C ATOM 1323 CE2 PHE A 587 -7.893 -22.712 15.471 1.00 65.33 C ATOM 1324 CZ PHE A 587 -8.773 -23.700 15.094 1.00 35.34 C ATOM 0 H PHE A 587 -11.845 -21.195 17.650 1.00 54.11 H new ATOM 0 HA PHE A 587 -10.236 -20.017 19.824 1.00 53.41 H new ATOM 0 HB2 PHE A 587 -8.345 -21.241 19.109 1.00 34.31 H new ATOM 0 HB3 PHE A 587 -9.618 -22.358 19.557 1.00 34.31 H new ATOM 0 HD1 PHE A 587 -10.870 -23.592 17.730 1.00 60.12 H new ATOM 0 HD2 PHE A 587 -7.383 -21.273 16.954 1.00 70.04 H new ATOM 0 HE1 PHE A 587 -10.532 -24.795 15.614 1.00 21.13 H new ATOM 0 HE2 PHE A 587 -7.057 -22.461 14.835 1.00 65.33 H new ATOM 0 HZ PHE A 587 -8.628 -24.226 14.162 1.00 35.34 H new ATOM 1334 N PHE A 588 -8.934 -18.784 17.841 1.00 43.30 N ATOM 1335 CA PHE A 588 -8.651 -17.740 16.904 1.00 63.51 C ATOM 1336 C PHE A 588 -7.389 -18.051 16.156 1.00 64.50 C ATOM 1337 O PHE A 588 -6.547 -18.813 16.627 1.00 22.52 O ATOM 1338 CB PHE A 588 -8.571 -16.356 17.597 1.00 21.44 C ATOM 1339 CG PHE A 588 -9.852 -15.923 18.259 1.00 25.30 C ATOM 1340 CD1 PHE A 588 -10.176 -16.366 19.534 1.00 64.54 C ATOM 1341 CD2 PHE A 588 -10.734 -15.086 17.604 1.00 50.31 C ATOM 1342 CE1 PHE A 588 -11.356 -15.985 20.139 1.00 62.00 C ATOM 1343 CE2 PHE A 588 -11.915 -14.696 18.203 1.00 73.24 C ATOM 1344 CZ PHE A 588 -12.229 -15.150 19.472 1.00 13.20 C ATOM 0 H PHE A 588 -8.212 -18.942 18.544 1.00 43.30 H new ATOM 0 HA PHE A 588 -9.474 -17.688 16.191 1.00 63.51 H new ATOM 0 HB2 PHE A 588 -7.779 -16.382 18.345 1.00 21.44 H new ATOM 0 HB3 PHE A 588 -8.286 -15.608 16.857 1.00 21.44 H new ATOM 0 HD1 PHE A 588 -9.495 -17.018 20.060 1.00 64.54 H new ATOM 0 HD2 PHE A 588 -10.497 -14.732 16.611 1.00 50.31 H new ATOM 0 HE1 PHE A 588 -11.596 -16.339 21.131 1.00 62.00 H new ATOM 0 HE2 PHE A 588 -12.593 -14.037 17.682 1.00 73.24 H new ATOM 0 HZ PHE A 588 -13.156 -14.851 19.939 1.00 13.20 H new ATOM 1354 N LEU A 589 -7.278 -17.521 14.994 1.00 32.42 N ATOM 1355 CA LEU A 589 -6.107 -17.686 14.195 1.00 42.53 C ATOM 1356 C LEU A 589 -5.614 -16.292 13.915 1.00 64.25 C ATOM 1357 O LEU A 589 -6.402 -15.424 13.514 1.00 51.42 O ATOM 1358 CB LEU A 589 -6.454 -18.408 12.876 1.00 12.14 C ATOM 1359 CG LEU A 589 -5.415 -19.397 12.297 1.00 71.11 C ATOM 1360 CD1 LEU A 589 -4.059 -18.758 12.052 1.00 53.41 C ATOM 1361 CD2 LEU A 589 -5.284 -20.608 13.189 1.00 23.21 C ATOM 0 H LEU A 589 -8.004 -16.952 14.559 1.00 32.42 H new ATOM 0 HA LEU A 589 -5.353 -18.289 14.700 1.00 42.53 H new ATOM 0 HB2 LEU A 589 -7.386 -18.953 13.028 1.00 12.14 H new ATOM 0 HB3 LEU A 589 -6.649 -17.648 12.120 1.00 12.14 H new ATOM 0 HG LEU A 589 -5.788 -19.710 11.322 1.00 71.11 H new ATOM 0 HD11 LEU A 589 -3.374 -19.502 11.646 1.00 53.41 H new ATOM 0 HD12 LEU A 589 -4.166 -17.938 11.342 1.00 53.41 H new ATOM 0 HD13 LEU A 589 -3.662 -18.375 12.992 1.00 53.41 H new ATOM 0 HD21 LEU A 589 -4.549 -21.293 12.767 1.00 23.21 H new ATOM 0 HD22 LEU A 589 -4.960 -20.295 14.182 1.00 23.21 H new ATOM 0 HD23 LEU A 589 -6.248 -21.111 13.264 1.00 23.21 H new ATOM 1373 N GLU A 590 -4.369 -16.051 14.170 1.00 51.33 N ATOM 1374 CA GLU A 590 -3.820 -14.749 13.966 1.00 31.13 C ATOM 1375 C GLU A 590 -2.564 -14.854 13.145 1.00 14.02 C ATOM 1376 O GLU A 590 -1.744 -15.769 13.347 1.00 74.22 O ATOM 1377 CB GLU A 590 -3.524 -14.096 15.315 1.00 45.51 C ATOM 1378 CG GLU A 590 -3.059 -12.654 15.258 1.00 0.33 C ATOM 1379 CD GLU A 590 -2.729 -12.105 16.629 1.00 42.23 C ATOM 1380 OE1 GLU A 590 -3.644 -11.700 17.361 1.00 51.14 O ATOM 1381 OE2 GLU A 590 -1.531 -12.079 17.000 1.00 21.14 O ATOM 0 H GLU A 590 -3.709 -16.744 14.522 1.00 51.33 H new ATOM 0 HA GLU A 590 -4.539 -14.130 13.430 1.00 31.13 H new ATOM 0 HB2 GLU A 590 -4.425 -14.144 15.927 1.00 45.51 H new ATOM 0 HB3 GLU A 590 -2.761 -14.685 15.824 1.00 45.51 H new ATOM 0 HG2 GLU A 590 -2.179 -12.583 14.619 1.00 0.33 H new ATOM 0 HG3 GLU A 590 -3.836 -12.041 14.801 1.00 0.33 H new ATOM 1388 N ILE A 591 -2.429 -13.968 12.210 1.00 24.22 N ATOM 1389 CA ILE A 591 -1.246 -13.878 11.406 1.00 51.12 C ATOM 1390 C ILE A 591 -0.441 -12.683 11.867 1.00 54.43 C ATOM 1391 O ILE A 591 -1.016 -11.645 12.267 1.00 24.30 O ATOM 1392 CB ILE A 591 -1.557 -13.802 9.880 1.00 74.35 C ATOM 1393 CG1 ILE A 591 -2.569 -12.700 9.571 1.00 32.32 C ATOM 1394 CG2 ILE A 591 -2.044 -15.147 9.364 1.00 60.21 C ATOM 1395 CD1 ILE A 591 -2.945 -12.588 8.107 1.00 44.54 C ATOM 0 H ILE A 591 -3.143 -13.278 11.979 1.00 24.22 H new ATOM 0 HA ILE A 591 -0.666 -14.791 11.539 1.00 51.12 H new ATOM 0 HB ILE A 591 -0.631 -13.551 9.363 1.00 74.35 H new ATOM 0 HG12 ILE A 591 -3.473 -12.880 10.153 1.00 32.32 H new ATOM 0 HG13 ILE A 591 -2.161 -11.745 9.903 1.00 32.32 H new ATOM 0 HG21 ILE A 591 -2.255 -15.073 8.297 1.00 60.21 H new ATOM 0 HG22 ILE A 591 -1.274 -15.901 9.530 1.00 60.21 H new ATOM 0 HG23 ILE A 591 -2.952 -15.433 9.895 1.00 60.21 H new ATOM 0 HD11 ILE A 591 -3.667 -11.782 7.977 1.00 44.54 H new ATOM 0 HD12 ILE A 591 -2.053 -12.375 7.518 1.00 44.54 H new ATOM 0 HD13 ILE A 591 -3.386 -13.527 7.772 1.00 44.54 H new ATOM 1407 N GLY A 592 0.850 -12.842 11.877 1.00 74.52 N ATOM 1408 CA GLY A 592 1.730 -11.806 12.330 1.00 61.02 C ATOM 1409 C GLY A 592 2.083 -10.888 11.209 1.00 55.51 C ATOM 1410 O GLY A 592 1.566 -11.047 10.092 1.00 71.01 O ATOM 0 H GLY A 592 1.322 -13.693 11.572 1.00 74.52 H new ATOM 0 HA2 GLY A 592 1.254 -11.242 13.132 1.00 61.02 H new ATOM 0 HA3 GLY A 592 2.636 -12.247 12.745 1.00 61.02 H new ATOM 1414 N GLU A 593 2.939 -9.934 11.474 1.00 50.42 N ATOM 1415 CA GLU A 593 3.337 -9.008 10.454 1.00 4.21 C ATOM 1416 C GLU A 593 4.176 -9.704 9.386 1.00 71.21 C ATOM 1417 O GLU A 593 5.107 -10.464 9.702 1.00 72.03 O ATOM 1418 CB GLU A 593 4.051 -7.789 11.032 1.00 30.31 C ATOM 1419 CG GLU A 593 3.164 -6.936 11.921 1.00 61.52 C ATOM 1420 CD GLU A 593 3.856 -5.681 12.394 1.00 62.53 C ATOM 1421 OE1 GLU A 593 3.902 -4.698 11.632 1.00 34.40 O ATOM 1422 OE2 GLU A 593 4.370 -5.655 13.527 1.00 55.24 O ATOM 0 H GLU A 593 3.371 -9.781 12.386 1.00 50.42 H new ATOM 0 HA GLU A 593 2.431 -8.637 9.976 1.00 4.21 H new ATOM 0 HB2 GLU A 593 4.916 -8.122 11.606 1.00 30.31 H new ATOM 0 HB3 GLU A 593 4.429 -7.176 10.213 1.00 30.31 H new ATOM 0 HG2 GLU A 593 2.261 -6.665 11.375 1.00 61.52 H new ATOM 0 HG3 GLU A 593 2.850 -7.522 12.785 1.00 61.52 H new ATOM 1429 N PRO A 594 3.824 -9.489 8.122 1.00 52.10 N ATOM 1430 CA PRO A 594 4.507 -10.101 6.995 1.00 10.03 C ATOM 1431 C PRO A 594 5.935 -9.582 6.853 1.00 44.50 C ATOM 1432 O PRO A 594 6.194 -8.387 6.983 1.00 20.50 O ATOM 1433 CB PRO A 594 3.665 -9.690 5.781 1.00 24.04 C ATOM 1434 CG PRO A 594 2.885 -8.505 6.223 1.00 62.32 C ATOM 1435 CD PRO A 594 2.723 -8.614 7.702 1.00 30.20 C ATOM 0 HA PRO A 594 4.594 -11.181 7.109 1.00 10.03 H new ATOM 0 HB2 PRO A 594 4.298 -9.447 4.928 1.00 24.04 H new ATOM 0 HB3 PRO A 594 3.006 -10.500 5.468 1.00 24.04 H new ATOM 0 HG2 PRO A 594 3.403 -7.583 5.959 1.00 62.32 H new ATOM 0 HG3 PRO A 594 1.913 -8.478 5.730 1.00 62.32 H new ATOM 0 HD2 PRO A 594 2.785 -7.638 8.182 1.00 30.20 H new ATOM 0 HD3 PRO A 594 1.754 -9.038 7.966 1.00 30.20 H new ATOM 1443 N ARG A 595 6.846 -10.468 6.589 1.00 4.42 N ATOM 1444 CA ARG A 595 8.235 -10.107 6.462 1.00 70.43 C ATOM 1445 C ARG A 595 8.702 -10.297 5.034 1.00 12.31 C ATOM 1446 O ARG A 595 8.397 -11.315 4.400 1.00 14.43 O ATOM 1447 CB ARG A 595 9.097 -10.916 7.437 1.00 62.42 C ATOM 1448 CG ARG A 595 8.980 -12.417 7.267 1.00 2.30 C ATOM 1449 CD ARG A 595 9.800 -13.161 8.287 1.00 41.12 C ATOM 1450 NE ARG A 595 9.382 -12.868 9.659 1.00 74.42 N ATOM 1451 CZ ARG A 595 9.575 -13.676 10.697 1.00 51.12 C ATOM 1452 NH1 ARG A 595 10.106 -14.885 10.520 1.00 32.01 N ATOM 1453 NH2 ARG A 595 9.231 -13.275 11.907 1.00 20.13 N ATOM 0 H ARG A 595 6.654 -11.461 6.455 1.00 4.42 H new ATOM 0 HA ARG A 595 8.344 -9.053 6.717 1.00 70.43 H new ATOM 0 HB2 ARG A 595 10.140 -10.627 7.309 1.00 62.42 H new ATOM 0 HB3 ARG A 595 8.816 -10.654 8.457 1.00 62.42 H new ATOM 0 HG2 ARG A 595 7.935 -12.712 7.356 1.00 2.30 H new ATOM 0 HG3 ARG A 595 9.306 -12.696 6.265 1.00 2.30 H new ATOM 0 HD2 ARG A 595 9.716 -14.232 8.105 1.00 41.12 H new ATOM 0 HD3 ARG A 595 10.851 -12.898 8.166 1.00 41.12 H new ATOM 0 HE ARG A 595 8.909 -11.981 9.831 1.00 74.42 H new ATOM 0 HH11 ARG A 595 10.367 -15.195 9.584 1.00 32.01 H new ATOM 0 HH12 ARG A 595 10.252 -15.500 11.320 1.00 32.01 H new ATOM 0 HH21 ARG A 595 8.820 -12.351 12.040 1.00 20.13 H new ATOM 0 HH22 ARG A 595 9.376 -13.889 12.708 1.00 20.13 H new ATOM 1467 N LEU A 596 9.393 -9.316 4.524 1.00 61.23 N ATOM 1468 CA LEU A 596 9.921 -9.360 3.195 1.00 72.14 C ATOM 1469 C LEU A 596 11.126 -10.268 3.227 1.00 30.14 C ATOM 1470 O LEU A 596 11.989 -10.127 4.100 1.00 65.10 O ATOM 1471 CB LEU A 596 10.334 -7.930 2.773 1.00 64.11 C ATOM 1472 CG LEU A 596 10.446 -7.611 1.265 1.00 42.53 C ATOM 1473 CD1 LEU A 596 11.600 -8.335 0.592 1.00 24.14 C ATOM 1474 CD2 LEU A 596 9.139 -7.935 0.581 1.00 4.21 C ATOM 0 H LEU A 596 9.606 -8.455 5.028 1.00 61.23 H new ATOM 0 HA LEU A 596 9.187 -9.733 2.481 1.00 72.14 H new ATOM 0 HB2 LEU A 596 9.615 -7.235 3.206 1.00 64.11 H new ATOM 0 HB3 LEU A 596 11.300 -7.715 3.230 1.00 64.11 H new ATOM 0 HG LEU A 596 10.658 -6.546 1.170 1.00 42.53 H new ATOM 0 HD11 LEU A 596 11.628 -8.072 -0.465 1.00 24.14 H new ATOM 0 HD12 LEU A 596 12.538 -8.042 1.064 1.00 24.14 H new ATOM 0 HD13 LEU A 596 11.463 -9.412 0.694 1.00 24.14 H new ATOM 0 HD21 LEU A 596 9.219 -7.710 -0.482 1.00 4.21 H new ATOM 0 HD22 LEU A 596 8.913 -8.993 0.712 1.00 4.21 H new ATOM 0 HD23 LEU A 596 8.341 -7.336 1.020 1.00 4.21 H new ATOM 1486 N VAL A 597 11.185 -11.192 2.325 1.00 22.53 N ATOM 1487 CA VAL A 597 12.314 -12.076 2.263 1.00 21.33 C ATOM 1488 C VAL A 597 13.397 -11.389 1.461 1.00 60.41 C ATOM 1489 O VAL A 597 13.442 -11.466 0.233 1.00 42.32 O ATOM 1490 CB VAL A 597 11.957 -13.450 1.658 1.00 50.20 C ATOM 1491 CG1 VAL A 597 13.145 -14.404 1.726 1.00 65.25 C ATOM 1492 CG2 VAL A 597 10.763 -14.039 2.382 1.00 33.43 C ATOM 0 H VAL A 597 10.468 -11.359 1.619 1.00 22.53 H new ATOM 0 HA VAL A 597 12.662 -12.283 3.275 1.00 21.33 H new ATOM 0 HB VAL A 597 11.702 -13.308 0.608 1.00 50.20 H new ATOM 0 HG11 VAL A 597 12.866 -15.364 1.293 1.00 65.25 H new ATOM 0 HG12 VAL A 597 13.982 -13.984 1.168 1.00 65.25 H new ATOM 0 HG13 VAL A 597 13.438 -14.546 2.766 1.00 65.25 H new ATOM 0 HG21 VAL A 597 10.517 -15.009 1.949 1.00 33.43 H new ATOM 0 HG22 VAL A 597 11.003 -14.163 3.438 1.00 33.43 H new ATOM 0 HG23 VAL A 597 9.909 -13.369 2.280 1.00 33.43 H new ATOM 2079 N PRO A 634 6.314 -5.224 3.752 1.00 72.32 N ATOM 2080 CA PRO A 634 4.966 -5.691 3.553 1.00 72.32 C ATOM 2081 C PRO A 634 4.182 -5.597 4.844 1.00 33.03 C ATOM 2082 O PRO A 634 4.696 -5.920 5.919 1.00 25.21 O ATOM 2083 CB PRO A 634 5.121 -7.138 3.093 1.00 24.22 C ATOM 2084 CG PRO A 634 6.487 -7.547 3.530 1.00 11.31 C ATOM 2085 CD PRO A 634 7.304 -6.294 3.662 1.00 14.54 C ATOM 0 HA PRO A 634 4.416 -5.097 2.823 1.00 72.32 H new ATOM 0 HB2 PRO A 634 4.358 -7.776 3.539 1.00 24.22 H new ATOM 0 HB3 PRO A 634 5.013 -7.220 2.011 1.00 24.22 H new ATOM 0 HG2 PRO A 634 6.444 -8.080 4.480 1.00 11.31 H new ATOM 0 HG3 PRO A 634 6.936 -8.225 2.804 1.00 11.31 H new ATOM 0 HD2 PRO A 634 7.938 -6.324 4.548 1.00 14.54 H new ATOM 0 HD3 PRO A 634 7.962 -6.156 2.804 1.00 14.54 H new ATOM 2093 N ILE A 635 2.970 -5.126 4.753 1.00 55.13 N ATOM 2094 CA ILE A 635 2.154 -4.962 5.914 1.00 63.20 C ATOM 2095 C ILE A 635 0.824 -5.677 5.756 1.00 70.04 C ATOM 2096 O ILE A 635 0.418 -6.026 4.633 1.00 31.33 O ATOM 2097 CB ILE A 635 2.007 -3.455 6.345 1.00 70.33 C ATOM 2098 CG1 ILE A 635 1.486 -2.525 5.217 1.00 60.04 C ATOM 2099 CG2 ILE A 635 3.335 -2.926 6.863 1.00 55.00 C ATOM 2100 CD1 ILE A 635 0.006 -2.615 4.930 1.00 22.12 C ATOM 0 H ILE A 635 2.526 -4.848 3.878 1.00 55.13 H new ATOM 0 HA ILE A 635 2.669 -5.443 6.746 1.00 63.20 H new ATOM 0 HB ILE A 635 1.254 -3.443 7.133 1.00 70.33 H new ATOM 0 HG12 ILE A 635 1.725 -1.495 5.480 1.00 60.04 H new ATOM 0 HG13 ILE A 635 2.030 -2.754 4.301 1.00 60.04 H new ATOM 0 HG21 ILE A 635 3.221 -1.883 7.158 1.00 55.00 H new ATOM 0 HG22 ILE A 635 3.650 -3.515 7.725 1.00 55.00 H new ATOM 0 HG23 ILE A 635 4.088 -3.001 6.078 1.00 55.00 H new ATOM 0 HD11 ILE A 635 -0.251 -1.925 4.126 1.00 22.12 H new ATOM 0 HD12 ILE A 635 -0.245 -3.632 4.629 1.00 22.12 H new ATOM 0 HD13 ILE A 635 -0.555 -2.353 5.827 1.00 22.12 H new ATOM 2112 N LEU A 636 0.179 -5.926 6.860 1.00 62.23 N ATOM 2113 CA LEU A 636 -1.069 -6.645 6.867 1.00 12.30 C ATOM 2114 C LEU A 636 -2.276 -5.710 6.835 1.00 61.33 C ATOM 2115 O LEU A 636 -2.120 -4.496 6.699 1.00 14.51 O ATOM 2116 CB LEU A 636 -1.115 -7.672 8.029 1.00 55.15 C ATOM 2117 CG LEU A 636 -0.602 -7.234 9.426 1.00 3.21 C ATOM 2118 CD1 LEU A 636 -1.411 -6.096 10.011 1.00 44.14 C ATOM 2119 CD2 LEU A 636 -0.609 -8.413 10.375 1.00 30.22 C ATOM 0 H LEU A 636 0.502 -5.637 7.783 1.00 62.23 H new ATOM 0 HA LEU A 636 -1.128 -7.220 5.943 1.00 12.30 H new ATOM 0 HB2 LEU A 636 -2.149 -7.997 8.143 1.00 55.15 H new ATOM 0 HB3 LEU A 636 -0.538 -8.545 7.723 1.00 55.15 H new ATOM 0 HG LEU A 636 0.417 -6.871 9.294 1.00 3.21 H new ATOM 0 HD11 LEU A 636 -1.010 -5.829 10.989 1.00 44.14 H new ATOM 0 HD12 LEU A 636 -1.356 -5.232 9.348 1.00 44.14 H new ATOM 0 HD13 LEU A 636 -2.451 -6.406 10.118 1.00 44.14 H new ATOM 0 HD21 LEU A 636 -0.247 -8.095 11.353 1.00 30.22 H new ATOM 0 HD22 LEU A 636 -1.625 -8.797 10.471 1.00 30.22 H new ATOM 0 HD23 LEU A 636 0.040 -9.197 9.985 1.00 30.22 H new ATOM 2131 N GLY A 637 -3.465 -6.281 6.914 1.00 30.44 N ATOM 2132 CA GLY A 637 -4.692 -5.507 6.883 1.00 11.23 C ATOM 2133 C GLY A 637 -4.971 -4.763 8.179 1.00 2.33 C ATOM 2134 O GLY A 637 -4.081 -4.596 9.023 1.00 75.24 O ATOM 0 H GLY A 637 -3.606 -7.287 7.001 1.00 30.44 H new ATOM 0 HA2 GLY A 637 -4.639 -4.789 6.065 1.00 11.23 H new ATOM 0 HA3 GLY A 637 -5.528 -6.173 6.668 1.00 11.23 H new ATOM 2138 N GLU A 638 -6.198 -4.335 8.344 1.00 70.14 N ATOM 2139 CA GLU A 638 -6.587 -3.577 9.509 1.00 22.52 C ATOM 2140 C GLU A 638 -6.729 -4.513 10.713 1.00 72.14 C ATOM 2141 O GLU A 638 -6.200 -4.234 11.796 1.00 75.42 O ATOM 2142 CB GLU A 638 -7.862 -2.763 9.232 1.00 1.40 C ATOM 2143 CG GLU A 638 -8.279 -1.852 10.376 1.00 71.44 C ATOM 2144 CD GLU A 638 -9.419 -0.922 10.024 1.00 23.04 C ATOM 2145 OE1 GLU A 638 -10.579 -1.374 9.967 1.00 63.03 O ATOM 2146 OE2 GLU A 638 -9.183 0.296 9.841 1.00 3.25 O ATOM 0 H GLU A 638 -6.953 -4.501 7.678 1.00 70.14 H new ATOM 0 HA GLU A 638 -5.809 -2.853 9.749 1.00 22.52 H new ATOM 0 HB2 GLU A 638 -7.707 -2.158 8.338 1.00 1.40 H new ATOM 0 HB3 GLU A 638 -8.679 -3.451 9.014 1.00 1.40 H new ATOM 0 HG2 GLU A 638 -8.571 -2.464 11.229 1.00 71.44 H new ATOM 0 HG3 GLU A 638 -7.420 -1.258 10.688 1.00 71.44 H new ATOM 2153 N HIS A 639 -7.401 -5.630 10.529 1.00 33.21 N ATOM 2154 CA HIS A 639 -7.481 -6.642 11.572 1.00 14.31 C ATOM 2155 C HIS A 639 -7.288 -7.995 10.979 1.00 32.00 C ATOM 2156 O HIS A 639 -8.045 -8.420 10.110 1.00 35.30 O ATOM 2157 CB HIS A 639 -8.801 -6.612 12.364 1.00 43.24 C ATOM 2158 CG HIS A 639 -8.952 -5.443 13.277 1.00 11.01 C ATOM 2159 ND1 HIS A 639 -8.583 -5.456 14.606 1.00 44.50 N ATOM 2160 CD2 HIS A 639 -9.432 -4.204 13.036 1.00 62.04 C ATOM 2161 CE1 HIS A 639 -8.836 -4.255 15.115 1.00 53.03 C ATOM 2162 NE2 HIS A 639 -9.355 -3.450 14.201 1.00 35.54 N ATOM 0 H HIS A 639 -7.900 -5.864 9.671 1.00 33.21 H new ATOM 0 HA HIS A 639 -6.686 -6.413 12.281 1.00 14.31 H new ATOM 0 HB2 HIS A 639 -9.632 -6.615 11.659 1.00 43.24 H new ATOM 0 HB3 HIS A 639 -8.878 -7.527 12.951 1.00 43.24 H new ATOM 0 HD2 HIS A 639 -9.815 -3.855 12.089 1.00 62.04 H new ATOM 0 HE1 HIS A 639 -8.644 -3.973 16.140 1.00 53.03 H new ATOM 0 HE2 HIS A 639 -9.639 -2.478 14.326 1.00 35.54 H new ATOM 2170 N THR A 640 -6.296 -8.674 11.445 1.00 5.00 N ATOM 2171 CA THR A 640 -6.011 -9.975 10.977 1.00 31.15 C ATOM 2172 C THR A 640 -6.366 -10.987 12.036 1.00 53.22 C ATOM 2173 O THR A 640 -5.596 -11.251 12.971 1.00 55.10 O ATOM 2174 CB THR A 640 -4.549 -10.099 10.515 1.00 54.40 C ATOM 2175 OG1 THR A 640 -3.637 -9.623 11.533 1.00 21.23 O ATOM 2176 CG2 THR A 640 -4.344 -9.295 9.257 1.00 60.11 C ATOM 0 H THR A 640 -5.659 -8.334 12.166 1.00 5.00 H new ATOM 0 HA THR A 640 -6.625 -10.178 10.099 1.00 31.15 H new ATOM 0 HB THR A 640 -4.343 -11.153 10.326 1.00 54.40 H new ATOM 0 HG1 THR A 640 -3.907 -9.978 12.406 1.00 21.23 H new ATOM 0 HG21 THR A 640 -3.307 -9.385 8.933 1.00 60.11 H new ATOM 0 HG22 THR A 640 -5.003 -9.670 8.474 1.00 60.11 H new ATOM 0 HG23 THR A 640 -4.573 -8.248 9.453 1.00 60.11 H new ATOM 2184 N LYS A 641 -7.549 -11.504 11.924 1.00 72.12 N ATOM 2185 CA LYS A 641 -8.073 -12.406 12.897 1.00 52.42 C ATOM 2186 C LYS A 641 -9.041 -13.329 12.222 1.00 54.32 C ATOM 2187 O LYS A 641 -9.686 -12.956 11.236 1.00 72.41 O ATOM 2188 CB LYS A 641 -8.788 -11.630 14.031 1.00 72.44 C ATOM 2189 CG LYS A 641 -9.403 -12.523 15.117 1.00 23.21 C ATOM 2190 CD LYS A 641 -10.255 -11.741 16.112 1.00 63.35 C ATOM 2191 CE LYS A 641 -9.435 -10.788 16.960 1.00 10.01 C ATOM 2192 NZ LYS A 641 -10.285 -10.045 17.915 1.00 54.54 N ATOM 0 H LYS A 641 -8.182 -11.310 11.148 1.00 72.12 H new ATOM 0 HA LYS A 641 -7.256 -12.977 13.339 1.00 52.42 H new ATOM 0 HB2 LYS A 641 -8.074 -10.951 14.497 1.00 72.44 H new ATOM 0 HB3 LYS A 641 -9.575 -11.015 13.594 1.00 72.44 H new ATOM 0 HG2 LYS A 641 -10.016 -13.291 14.645 1.00 23.21 H new ATOM 0 HG3 LYS A 641 -8.605 -13.037 15.654 1.00 23.21 H new ATOM 0 HD2 LYS A 641 -11.014 -11.177 15.570 1.00 63.35 H new ATOM 0 HD3 LYS A 641 -10.781 -12.440 16.763 1.00 63.35 H new ATOM 0 HE2 LYS A 641 -8.675 -11.347 17.506 1.00 10.01 H new ATOM 0 HE3 LYS A 641 -8.910 -10.084 16.314 1.00 10.01 H new ATOM 0 HZ1 LYS A 641 -9.693 -9.402 18.479 1.00 54.54 H new ATOM 0 HZ2 LYS A 641 -10.994 -9.493 17.392 1.00 54.54 H new ATOM 0 HZ3 LYS A 641 -10.766 -10.717 18.547 1.00 54.54 H new ATOM 2206 N LEU A 642 -9.088 -14.519 12.696 1.00 34.11 N ATOM 2207 CA LEU A 642 -10.013 -15.481 12.240 1.00 52.53 C ATOM 2208 C LEU A 642 -10.601 -16.163 13.442 1.00 64.53 C ATOM 2209 O LEU A 642 -9.865 -16.725 14.251 1.00 10.31 O ATOM 2210 CB LEU A 642 -9.298 -16.506 11.413 1.00 4.03 C ATOM 2211 CG LEU A 642 -10.154 -17.606 10.827 1.00 32.11 C ATOM 2212 CD1 LEU A 642 -10.995 -17.109 9.674 1.00 40.13 C ATOM 2213 CD2 LEU A 642 -9.284 -18.742 10.419 1.00 54.31 C ATOM 0 H LEU A 642 -8.467 -14.857 13.431 1.00 34.11 H new ATOM 0 HA LEU A 642 -10.789 -15.004 11.642 1.00 52.53 H new ATOM 0 HB2 LEU A 642 -8.791 -15.994 10.595 1.00 4.03 H new ATOM 0 HB3 LEU A 642 -8.525 -16.965 12.029 1.00 4.03 H new ATOM 0 HG LEU A 642 -10.852 -17.950 11.590 1.00 32.11 H new ATOM 0 HD11 LEU A 642 -11.595 -17.930 9.281 1.00 40.13 H new ATOM 0 HD12 LEU A 642 -11.653 -16.312 10.020 1.00 40.13 H new ATOM 0 HD13 LEU A 642 -10.344 -16.726 8.888 1.00 40.13 H new ATOM 0 HD21 LEU A 642 -9.898 -19.537 9.996 1.00 54.31 H new ATOM 0 HD22 LEU A 642 -8.567 -18.401 9.672 1.00 54.31 H new ATOM 0 HD23 LEU A 642 -8.749 -19.121 11.289 1.00 54.31 H new ATOM 2225 N GLU A 643 -11.879 -16.077 13.587 1.00 20.12 N ATOM 2226 CA GLU A 643 -12.560 -16.763 14.648 1.00 52.32 C ATOM 2227 C GLU A 643 -12.980 -18.124 14.108 1.00 24.50 C ATOM 2228 O GLU A 643 -13.829 -18.208 13.232 1.00 23.04 O ATOM 2229 CB GLU A 643 -13.772 -15.944 15.097 1.00 62.54 C ATOM 2230 CG GLU A 643 -14.531 -16.526 16.268 1.00 60.32 C ATOM 2231 CD GLU A 643 -15.702 -15.676 16.669 1.00 22.31 C ATOM 2232 OE1 GLU A 643 -15.529 -14.733 17.476 1.00 72.23 O ATOM 2233 OE2 GLU A 643 -16.821 -15.916 16.192 1.00 43.31 O ATOM 0 H GLU A 643 -12.488 -15.531 12.977 1.00 20.12 H new ATOM 0 HA GLU A 643 -11.915 -16.893 15.517 1.00 52.32 H new ATOM 0 HB2 GLU A 643 -13.437 -14.941 15.361 1.00 62.54 H new ATOM 0 HB3 GLU A 643 -14.455 -15.840 14.254 1.00 62.54 H new ATOM 0 HG2 GLU A 643 -14.882 -17.525 16.010 1.00 60.32 H new ATOM 0 HG3 GLU A 643 -13.856 -16.635 17.117 1.00 60.32 H new ATOM 2240 N VAL A 644 -12.337 -19.164 14.563 1.00 2.22 N ATOM 2241 CA VAL A 644 -12.618 -20.497 14.081 1.00 13.40 C ATOM 2242 C VAL A 644 -13.499 -21.214 15.069 1.00 51.14 C ATOM 2243 O VAL A 644 -13.064 -21.547 16.176 1.00 34.13 O ATOM 2244 CB VAL A 644 -11.341 -21.335 13.879 1.00 32.31 C ATOM 2245 CG1 VAL A 644 -11.680 -22.681 13.254 1.00 61.04 C ATOM 2246 CG2 VAL A 644 -10.325 -20.593 13.038 1.00 34.04 C ATOM 0 H VAL A 644 -11.607 -19.117 15.274 1.00 2.22 H new ATOM 0 HA VAL A 644 -13.111 -20.387 13.115 1.00 13.40 H new ATOM 0 HB VAL A 644 -10.895 -21.511 14.858 1.00 32.31 H new ATOM 0 HG11 VAL A 644 -10.766 -23.260 13.118 1.00 61.04 H new ATOM 0 HG12 VAL A 644 -12.360 -23.225 13.909 1.00 61.04 H new ATOM 0 HG13 VAL A 644 -12.156 -22.523 12.286 1.00 61.04 H new ATOM 0 HG21 VAL A 644 -9.435 -21.210 12.913 1.00 34.04 H new ATOM 0 HG22 VAL A 644 -10.753 -20.372 12.060 1.00 34.04 H new ATOM 0 HG23 VAL A 644 -10.053 -19.661 13.534 1.00 34.04 H new ATOM 2256 N ILE A 645 -14.711 -21.419 14.692 1.00 31.21 N ATOM 2257 CA ILE A 645 -15.683 -22.087 15.519 1.00 61.51 C ATOM 2258 C ILE A 645 -15.683 -23.561 15.160 1.00 40.50 C ATOM 2259 O ILE A 645 -15.737 -23.909 13.989 1.00 50.51 O ATOM 2260 CB ILE A 645 -17.092 -21.495 15.269 1.00 34.31 C ATOM 2261 CG1 ILE A 645 -17.050 -19.965 15.402 1.00 34.24 C ATOM 2262 CG2 ILE A 645 -18.100 -22.085 16.255 1.00 50.45 C ATOM 2263 CD1 ILE A 645 -18.313 -19.278 14.949 1.00 53.35 C ATOM 0 H ILE A 645 -15.073 -21.126 13.785 1.00 31.21 H new ATOM 0 HA ILE A 645 -15.429 -21.951 16.570 1.00 61.51 H new ATOM 0 HB ILE A 645 -17.406 -21.753 14.258 1.00 34.31 H new ATOM 0 HG12 ILE A 645 -16.860 -19.706 16.444 1.00 34.24 H new ATOM 0 HG13 ILE A 645 -16.211 -19.582 14.821 1.00 34.24 H new ATOM 0 HG21 ILE A 645 -19.085 -21.659 16.066 1.00 50.45 H new ATOM 0 HG22 ILE A 645 -18.142 -23.167 16.129 1.00 50.45 H new ATOM 0 HG23 ILE A 645 -17.792 -21.850 17.274 1.00 50.45 H new ATOM 0 HD11 ILE A 645 -18.206 -18.200 15.074 1.00 53.35 H new ATOM 0 HD12 ILE A 645 -18.494 -19.505 13.899 1.00 53.35 H new ATOM 0 HD13 ILE A 645 -19.153 -19.631 15.547 1.00 53.35 H new ATOM 2275 N ILE A 646 -15.581 -24.404 16.143 1.00 52.01 N ATOM 2276 CA ILE A 646 -15.578 -25.836 15.929 1.00 60.34 C ATOM 2277 C ILE A 646 -16.959 -26.381 16.226 1.00 23.14 C ATOM 2278 O ILE A 646 -17.384 -26.415 17.390 1.00 72.21 O ATOM 2279 CB ILE A 646 -14.539 -26.559 16.837 1.00 35.25 C ATOM 2280 CG1 ILE A 646 -13.119 -26.030 16.572 1.00 1.41 C ATOM 2281 CG2 ILE A 646 -14.602 -28.073 16.624 1.00 54.54 C ATOM 2282 CD1 ILE A 646 -12.066 -26.601 17.504 1.00 0.13 C ATOM 0 H ILE A 646 -15.497 -24.127 17.121 1.00 52.01 H new ATOM 0 HA ILE A 646 -15.301 -26.021 14.891 1.00 60.34 H new ATOM 0 HB ILE A 646 -14.789 -26.348 17.877 1.00 35.25 H new ATOM 0 HG12 ILE A 646 -12.842 -26.260 15.543 1.00 1.41 H new ATOM 0 HG13 ILE A 646 -13.123 -24.944 16.666 1.00 1.41 H new ATOM 0 HG21 ILE A 646 -13.869 -28.562 17.266 1.00 54.54 H new ATOM 0 HG22 ILE A 646 -15.600 -28.434 16.872 1.00 54.54 H new ATOM 0 HG23 ILE A 646 -14.381 -28.303 15.582 1.00 54.54 H new ATOM 0 HD11 ILE A 646 -11.092 -26.180 17.254 1.00 0.13 H new ATOM 0 HD12 ILE A 646 -12.317 -26.349 18.534 1.00 0.13 H new ATOM 0 HD13 ILE A 646 -12.032 -27.685 17.394 1.00 0.13 H new ATOM 2294 N GLU A 647 -17.674 -26.754 15.197 1.00 43.31 N ATOM 2295 CA GLU A 647 -18.984 -27.313 15.370 1.00 34.31 C ATOM 2296 C GLU A 647 -19.037 -28.764 14.934 1.00 10.32 C ATOM 2297 O GLU A 647 -18.633 -29.123 13.817 1.00 51.00 O ATOM 2298 CB GLU A 647 -20.057 -26.500 14.651 1.00 3.43 C ATOM 2299 CG GLU A 647 -20.204 -25.085 15.169 1.00 55.02 C ATOM 2300 CD GLU A 647 -21.430 -24.409 14.636 1.00 60.13 C ATOM 2301 OE1 GLU A 647 -22.551 -24.798 15.043 1.00 51.03 O ATOM 2302 OE2 GLU A 647 -21.322 -23.458 13.840 1.00 22.51 O ATOM 0 H GLU A 647 -17.367 -26.679 14.227 1.00 43.31 H new ATOM 0 HA GLU A 647 -19.197 -27.271 16.438 1.00 34.31 H new ATOM 0 HB2 GLU A 647 -19.820 -26.464 13.588 1.00 3.43 H new ATOM 0 HB3 GLU A 647 -21.014 -27.013 14.748 1.00 3.43 H new ATOM 0 HG2 GLU A 647 -20.245 -25.102 16.258 1.00 55.02 H new ATOM 0 HG3 GLU A 647 -19.323 -24.506 14.892 1.00 55.02 H new